text:
\section*{}
\vspace{-1cm}

\footnotetext{\textit{$^{a}$~Department of Mathematics and Computer Science \& Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands. }}
\footnotetext{\textit{$^{\ast}$ E-mail: b.baumeier@tue.nl, m.e.j.karttunen@tue.nl }}

\footnotetext{\dag~Electronic Supplementary Information (ESI) available: [details of any supplementary information available should be included here]. See DOI: 10.1039/b000000x/}

\section{Introduction}
\label{sec:intro}
Multiscale modelling has become one the leading themes in modelling materials and their different properties. The most famous use of the term is the 2013 Nobel Prize in Chemistry "for the development of multiscale models for complex chemical systems". Its increasing popularity can also been seen in the titles of published peer reviewed papers: According to the Web of Science, in 2015 1,157 articles had the term "multiscale" in their title, a decade earlier the number was 520 and in 1990 only 41.

"Multiscale" is often used synonymously with "coarse graining".
Coarse graining typically refers to obtaining interaction potentials
and parameters for a higher level system from structural equilibrium data. Examples of such are force matching~\cite{Izvekov2005,Lu2010}, inverse Boltzmann~\cite{Reith03} and the inverse Monte Carlo method~\cite{Lyubartsev1995,Lyubartsev2002}. The latter two are based on the Henderson theorem~\cite{Henderson1974a} which is essentially the Hohenberg-Kohn theorem~\cite{Hohenberg:64ht} for classical systems; for a brief derivation and discussion of the relation between them, see Murtola et al.~\cite{Murtola2009d}. More heuristic approaches such the Martini model~\cite{Marrink2013} and the PLUM model~\cite{Bereau2014} are another common approach; for a comparison between PLUM, Martini and atomistic models, see Bereau et al.~\cite{Bereau2015}. One of the leading ideas is that systematic coarse graining allows, at least in principle, also fine graining, that is, remapping the higher level model back to the original more microscopic one~\cite{Krishna2011b}. Backmapping procedures exist for the Martini model~\cite{Rzepiela2010a,Wassenaar2014} and such approaches have proven useful in modelling lipids and proteins, see e.g. Pannuzzo et al.~\cite{Pannuzzo2013a}. One somewhat less considered but an important issue is sampling at differerent levels of coarse-graining~\cite{Lyman2006}.
For more details on coarse graining, recent reviews can be found in Refs.~\citenum{Murtola2009d,Ingolfsson2013,Noid2013,Brini2013}

Multiscale modelling is a much broader concept. For example, instead of linking scales via deriving new interaction potentials, in hybrid simulations some part of the system is described with a different resolution from the rest and information is transmitted between the two different regions. Examples of such are QM/MM (quantum-molecular mechanics), MM/CG (molecular mechanics-coarse grained) and even QM/QM (quantum-quantum)). The idea  is that more detailed information in some well defined region is sought after and the crucial issue is how to couple the main system and the subsystem. This has been discussed extensively, see, e.g. Refs.~\citenum{Pezeshki2014}, but the essence is that the both dynamic and static properties must be communicated between the systems. This may include polarization, changes in the charge-state of the system, and so on.
Yet another multiscale approach is the so-called adaptive resolution method, or AdResS. In this case, run-time information is transmitted  between layers of description ranging from atomistic even up to to continuum~\cite{Praprotnik2008c,Delgado-Buscalioni2009b}.

Electronic excitations pose a significant challenge for multiscaling~\cite{olivier_theoretical_2009,di_donato_n-type_2010,nelson_modeling_2009,vehoff_charge_2010,vehoff_charge_2010-1,ruehle_multiscale_2010,wang_computational_2010,schrader_comparative_2012,may_design_2012} since typical DFT methods describe the ground state.
An assessment of the interplay between molecular electronic structure, morphological order, and thermodynamic properties requires the knowledge of the material morphology at atomic resolution, as well as strategies to couple quantum mechanical techniques to classical environments for accurate evaluation of electronic excitations~\cite{may_can_2012,baumeier_electronic_2014,poelking_impact_2015}.

Morphology can have several characteristic length scales and be kinetically arrested.
Employing all-atom molecular dynamics is limited to a few microseconds, which might be too short to fully relax molecular positions and orientations during aggregation~\cite{clancy_application_2011} in polymer melts~\cite{zhang_equilibration_2014,potestio_computer_2014,gemunden_nematic_2013}, or polymers in miscible solutions~\cite{mukherji_polymer_2014}. In such cases more coarse representations might be helpful to overcome the limitations of atomistic models~\cite{ruehle_versatile_2009,huang_coarse-grained_2010,moreira_direct_2015,gemunden_effect_2015}.
Using empirical atomistic potentials in multiscale simulations of excitations based on quantum calculations requires that the structural description at different levels of resolution are compatible with each other.
For example, bond length deviations or fluctuations in angles and torsions can lead to substantial artifacts if the backmapped/fine-grained geometries do not match the potential energy surfaces (PES) of the underlying quantum mechanical system.
Such a situation regularly arises for conjugated polymers since conjugation can depend sensitively on conformation. In (semi)flexible polymers, conjugation along a single chain can be broken due to large out-of-plane torsions between two repeat units. Broken conjugation and wave function localization~\cite{vukmirovi_charge_2008,vukmirovi_charge_2009,mcmahon_ad_2009} are often intuitively interpreted based on a simple empirical criterion, the dihedral angle between two adjacent repeat units~\cite{ruehle_multiscale_2010}. In general, details are specific to the backbone chemistry, functionalization by side chains, and solute-solvent interactions. Characteristics of conjugation also directly influence the localization behavior of electronic excitations and hence the electronic and optical properties of the polymer.

\begin{figure}
\centering
\includegraphics[width=\linewidth]{PPE-chem
\caption{Chemical structure of poly {\em para} phenylene ethynylene (poly-PPE). $n$ is the number of repeat units along the polymer (degree of polymerization).}
\label{PPE-chem}
\end{figure}

\begin{figure}
\centering
\resizebox{0.50\columnwidth}{!}{
\includegraphics{DPE-chem}}
\caption{Chemical structures of diphenylethyne (DPE, top) and methylated diphenylethyne (Me-DPE, bottom). It consists of two aromatic rings bridged by a sequence of single bonds and very stiff triple bonds.}
\label{DPEstructure}
\end{figure}

In this paper, some of the underlying challenges pertaining to the transfer of structural atomistic detail between quantum and all-atom resolutions are demonstrated. As an example, we consider the calculation of optical properties of poly {\em para} phenylene ethynylene\xspace (poly-PPE, see chemical structure in Fig.~\ref{PPE-chem}), a relatively rigid conjugated polymer consisting of aromatic phenyl rings bridged by alternating single and triple carbon bonds. PPEs can be prepared in a variety of morphologies, ranging from extended single chains to polydots
and their optical properties make them particularly attractive for use in fluorescence imaging and sensing~\cite{wu_multicolor_2008,halkyard_evidence_1998,tuncel_conjugated_2010}.
Due to the importance of backbone torsions on conjugation and hence excitations, we compare PESs for phenyl rotations in diphenylethyne (DPE, see Fig.~\ref{DPEstructure}) obtained using density functional theory (DFT) to the ones from all-atom simulations using the standard force field and experimental data.
Significant discrepancies were found and
as a result, the atomistic force field was re-parameterized.
With this modified force field, ground state geometries are optimized for $n$-PPE oligomers with $n=1,\dots,10$ and then used in $GW$-BSE calculations. The associated excitation energies are benchmarked with results from quantum-mechanical treatment, revealing qualitatively similar characteristics as a function of $n$ but deviations at the quantitative level. Finally, conformations from MD simulations of 2,5-dinonyl-10-PPE solvated in toluene are used in a QM/MM setup to evaluate absorption and emission spectra.

\section{Methodology}
\label{sec:methodology}

MM/MD calculations were performed using a force field of OPLS (optimized potential for liquid simulations)~\cite{jorgensen_optimized_1984,jorgensen_development_1996,watkins_perfluoroalkanes:_2001} form with GROMACS simulation software version 4~\cite{van_der_spoel_gromacs:_2005}. The force field parameters are taken from the polymer consistent force field~\cite{sun_ab_1994,Sun1995} (PCFF) as converted to OPLS form in Refs.~\citenum{maskey_internal_2013,maskey_conformational_2011}. We refer to it as PCFF* from now on.
 The OPLS potential energy function consists of harmonic bond stretching ($V_{\textnormal{bond}}$), angle bending potential ($V_{\textnormal{angle}}$), non-bonded terms ($V_{\textnormal{non-bonded}}$) including Lennard-Jones (LJ) and electrostatics, proper and improper dihedral potential terms ($V_{\textnormal{torsion}}$)~\cite{jorgensen_optimized_1984,jorgensen_development_1996,watkins_perfluoroalkanes:_2001}:
 \begin{equation}
V_{\textnormal{bond}}=\sum_{i}k_{\textnormal{b},i}(r_i-r_{0,i})^{2}
\label{bond}
\end{equation}
 \begin{equation}
V_{\textnormal{angle}}=\sum_{i}k_{\theta,i}(\theta_{i}-\theta_{0,i})^{2}
\label{angle}
\end{equation}
  \begin{equation}
V_{\textnormal{non-bonded}}=\sum_{i}\sum_{j>i}\Big{\{} \frac{q_{i}q_{j}e^2}{r_{ij}} + 4 \epsilon_{ij} \Big{[} \Big{(} \frac{\sigma_{ij}}{r_{ij}} \Big{)}^{12} -  \Big{(}\frac{\sigma_{ij}}{r_{ij}} \Big{)}^{6}  \Big{]} \Big{\}}
\label{non-bonded}
\end{equation}
 \begin{eqnarray}
V_{\textnormal{torsion}}&=&\sum_{i}\Big{[} \frac{1}{2}k_{1,i}(1+\cos(\phi_{i}))+\frac{1}{2}k_{2,i}(1-\cos(2\phi_i))\nonumber\\
&+&\frac{1}{2}k_{3,i}(1+\cos(3\phi_i))+\frac{1}{2}k_{4,i}(1-\cos(4\phi_i))\Big{]}
\label{torsion}
\end{eqnarray}
The parameters $k_{\textnormal{b},i}$ and $k_{\theta,i}$ are the bond force constant for bond $i$ and angle force constant for angle $i$, respectively. $r_{0}$ and $\theta_{0}$ are initial (reference,equilibrium) bond distance and angle bending, respectively. $k_{1,i},k_{2,i},\dots$ are the torsional force constants for each dihedral $i$. $q_ie$ is the partial atomic charge of atom $i$ in which $e$ is the charge of one electron, $\sigma_{ij}$ are the LJ radii and $\epsilon_{ij}$ are the LJ energies (well-depth) and $r_{ij}$ are the distances  between atom $i$ and $j$. The geometric combination rules were used following the convention adopted in OPLS force field [$\sigma_{ij}=(\sigma_{ii}\sigma_{jj})^{\frac{1}{2}}$ and $\epsilon_{ij}=(\epsilon_{ii}\epsilon_{jj})^{\frac{1}{2}}$]. The intramolecular non-bonded interactions were evaluated for atom pairs separated by three or more bonds. The 1,4-intramolecular interactions were reduced~\cite{jorgensen_optimized_1984,jorgensen_development_1996,watkins_perfluoroalkanes:_2001} by a factor of $1/2$.

To obtain relaxed scans of potential energy surfaces (PES) from MM/MD, energy minimization of the DPE molecule in vacuum was performed using  the conjugate gradient method  followed by a short MD run (100\,ps) with constant particle number ($N$) and temperature ($T$). The Langevin thermostat~\cite{grest_molecular_1986} with $1$\,fs time step and open boundary conditions were applied. Temperature was kept at \unit[10]{K} with \unit[10]{fs} damping constant. All LJ interactions were cut-off at \unit[1.2]{nm}. A plain cut-off scheme was used for electrostatic interactions with \unit[2.0]{nm} real space cut-off: with open boundary conditions plain cut-off can be used. For systems with periodic boundary conditions, the particle-mesh Ewald (PME)~\cite{darden_particle_1993,essmann_smooth_1995}  should be used instead.  For more discussion about the importance of electrostatic interactions, please see Ref.~\citenum{cisneros_classical_2014}.
The cut-off distance for the short-range neighbor list was \unit[1.2]{nm} and the neighbor lists were  updated at every  step. The intention was to evaluate the ground state energies of DPE molecules with different torsional angle between aromatic rings. To do that, after the first energy minimization step, a short MD run at very low temperature was used to bring the system out of possible local minima. Then a second conjugate gradient energy minimization was performed to obtain the ground state MM/MD PES.

DFT optimizations and relaxed PES scans were performed using the B3LYP exchange correlation functional \cite{becke_density-functional_1993,lee_development_1988,vosko_accurate_1980,stephens_ab_1994} and def2-TZVP basis set{\cite{weigend_balanced_2005} as implemented in the Orca package~\cite{neese_orca_2012}. Due to the lack of van der Waals (dispersion) interactions in standard DFT, Grimme's DFT-D3 method~\cite{grimme_semiempirical_2006}, was employed.

In order to calculate electronically excited states, many-body Green's function theory in the $GW$ approximation with the Bethe-Salpeter equation (\textit{GW}-BSE)~\cite{hedin_effects_1969} was employed, since static DFT~\cite{kohn_self-consistent_1965} cannot describe coupled electron-hole excitations. For details of the application to molecular systems, the reader is referred to Refs.~\citenum{ma_modeling_2010,baumeier_excited_2012,baumeier_frenkel_2012,onida_electronic_2002,blase_charge-transfer_2011,faber_electronphonon_2012}. The \textit{GW}-BSE method is based on a set of Green's function equations of motion which contain electron-hole interaction (BSE) leading to the formation of excitons. It utilizes the DFT molecular orbitals and energies to calculate the one-particle Green's function ($G$) and screened Coulomb interaction ($W$) to obtain single-particle excitations within the \textit{GW} approximation as introduced by Hedin and Lundqvist~\cite{hedin_effects_1969}.
An electron-hole excitation cannot be described in an effective single-particle picture but instead requires explicit treatment of a coupled two-particle system.
The electron-hole amplitudes and associated transition energies can be obtained by solving the Bethe-Salpeter equation~\cite{baumeier_excited_2012,baumeier_frenkel_2012,onida_electronic_2002}.
For calculation of excitation energies according to \textit{GW}-BSE method, first DFT calculations were performed using the Orca package \cite{neese_orca_2012}, B3LYP functional~\cite{becke_density-functional_1993,lee_development_1988,vosko_accurate_1980,stephens_ab_1994}, effective core potentials of the Stuttgart/Dresden type~\cite{bergner_ab_1993}, and the associated basis sets that are augmented by additional polarization functions~\cite{krishnan_self-consistent_1980} of $d$ symmetry. The specialized $GW$-BSE implementation for isolated systems~\cite{ma_excited_2009,ma_modeling_2010,baumeier_excited_2012,baumeier_frenkel_2012} available in the VOTCA software package~\cite{ruhle_microscopic_2011,note_VOTCA} is used in all further steps related to the excitations. For molecular visualizations, Visual Molecular Dynamics (VMD)~\cite{humphrey_vmd:_1996} and Jmol~\cite{jmol} were used.

\section{Results}
\label{sec:results}

\subsection{Force field parametrization}
Due to the influence of conformational details on the optical properties~\cite{bunz_polyaryleneethynylenes_2009,miteva_interplay_2000} in PPEs, one needs to determine if the force field yields reliable minimum energy configurations.
Hence, relaxed scans  of potential energy surface (PES) were obtained using both MM/MD and DFT.

\begin{figure}
\includegraphics[width=\linewidth]{DPE-QM-MM-PES-vs-torsional-angle}
\caption{Potential energy surface (PES) obtained by MM/MD and quantum mechanical (QM) calculations. Red triangles show PES calculated using $\textnormal{PCCF}^{*}$ \cite{maskey_conformational_2011,maskey_internal_2013} force field. Black squares are the QM results using B3LYP+D3. Blue circles show PES obtained using our new modified force field. The modified force field and B3LYP+D3 are in excellent agreement.}
\label{DPE-QM-MM-PES-vs-torsional-angle}
\end{figure}

The resulting PES are shown in Fig.~\ref{DPE-QM-MM-PES-vs-torsional-angle}. The PCFF* result (red triangles) shows a minimum at $90^{\circ}$, corresponding to twisted phenylene rings. In contrast, the result of the DFT-based scan (black squares) indicates a minimum energy configuration in which the two phenyl rings are co-planar, which is also extracted from experiments~\cite{stang_acetylenes_1995,halkyard_evidence_1998}. The force field predicts a practically free rotation of phenylenes for $T\geq 0$, while a barrier of around $\sim \unit[4]{kJ/mol}$ $(\sim \unit[1.5]{k_{\text{B}}T})$ is obtained with DFT. The latter is comparable to the one reported in Ref.~\citenum{toyota_rotational_2010}. The experimental potential barrier is around $\sim \unit[2]{kJ/mol}$~\cite{stang_acetylenes_1995,halkyard_evidence_1998,okuyama_electronic_1984}. Overall, the scans imply that the PCFF* force field does not correctly model the  ground state conformations of DPE, which can have severe implications for the derived optical properties.

\begin{figure}
\centering
\resizebox{1.0\columnwidth}{!}{
\includegraphics{DPE3}}
\caption{Atomic structure of DPE.  Gray spheres show carbon atoms and white spheres indicate hydrogen atoms. The indices show atom number. There is a triple bond between 12 and 13. }
\label{DPE-chem-number}
\end{figure}
\begin{table}

\caption{Ryckaert-Bellemans~\cite{ryckaert_molecular_1978} torsion parameters (Eq.~\ref{torsion}) in \unit[]{kJ/mol} for atom numbers 4-11-22-17, 3-11-22-14, 4-11-22-14 and 3-11-22-17, see Fig.~\ref{DPE-chem-number} for  the definition of atom numbers.}
\label{tab:TorsionParameters}
\resizebox{1.0\columnwidth}{!}{
\begin{tabular}{lccccccccccccc}
\hline\noalign{\smallskip}
 Torsion Type & $k_0$ & $k_1$ & $k_2$ & $k_3$ & $k_4$ & $k_5$\\
\noalign{\smallskip}\hline\noalign{\smallskip}
 C-C-C-C &1.0685&  0.0007&  -1.0660&  0.00004& -0.00375&  -0.0004&
\\
\noalign{\smallskip}\hline
\end{tabular} }
\end{table}

To remedy this situation, the existing force field is refined by the addition of a torsional potential between the two adjacent phenylenes (see Fig.~\ref{DPE-chem-number} for definition of involved atoms). By fitting Eq.~\ref{torsion} to the differences of DFT and PCFF* potential energy surfaces, corresponding Ryckaert-Bellemans~\cite{ryckaert_molecular_1978} force parameters, provided in Table~\ref{tab:TorsionParameters}, were obtained. The PES is re-calculated with MM/MD using the modified force field, yielding the scan as shown in Fig.~\ref{DPE-QM-MM-PES-vs-torsional-angle} (blue circles). It is in good agreement with the DFT result.

\begin{figure}
\includegraphics[width=\linewidth]{DPE-methyl-QM-MM-PES-vs-torsional-angle}
\caption{Potential energy surface (PES) obtained using the modified force field (black squares), DFT calculations (blue circles), PCFF* force field (red triangles). The modified force filed gives reasonable agreement with the B3LYP+D3. Dispersion interaction between the methyl side chains leads to \textit{cis} conformation (180$^{\circ}$) preference over \textit{trans} conformation (0$^{\circ}$).  }
\label{DPE-methyl-QM-MM-PES-vs-torsional-angle}
\end{figure}

To assess the transferability of the modified force field, we repeat the above scans of the torsional potential for {\em para} methylated-DPE (see chemical structure shown in Fig.~\ref{DPEstructure}). The PES resulting from both MD and DFT calculations are shown in Fig.~\ref{DPE-methyl-QM-MM-PES-vs-torsional-angle}. With the modified force field (blue circles) one can observe a good agreement with the DFT data (black squares). Both approaches predict a minimum energy configuration at $180^{\circ}$ twist. The energetic preference of this \textit{cis} conformation of Me-DPE over the \textit{trans} conformation (0$^{\circ}$) is driven by attractive dispersion interaction among the two CH$_3$. While this preference is also obtained with the original PCFF$^*$ force field (red triangles), no barrier between \textit{cis} and \textit{trans} configurations is found.
In terms of obtaining minimum energy configurations and energy barriers in the PES, the modified PCFF is clearly more reliable.

\subsection{Optical excitations in single molecules}
For systems such as solvated polymer chains, the system size makes the use of classical simulations inevitable to obtain structural information. Even with the modified force field at hand, it is not automatically guaranteed that the use of the MM/MD geometries in QM/MM schemes does not lead to spurious errors in the computed excitations. To further assess the level of reliability of such calculations, the evolution of optical absorption properties of Me-DPE is examined as a function of phenyl torsions based on the respectively optimized geometries.

\begin{figure}
\includegraphics[width=\linewidth]{waterfalls}
\caption{Top: Optical absorption spectra for Me-DPE as a function of torsional angle between phenylene rings based on (a) DFT optimized structures and (b) MM/MD energy minimized structures. The lower energy excitations in both (a) and (b) show the same dependency on the angle. Bottom: isosurfaces ($\unit[\pm5\times 10^{-3}]{e/\text{\AA}^3}$) of excitation electron density at  $0^{\circ}$ and $90^{\circ}$ based on DFT optimized structures. Red color corresponds to negative values (hole density) and blue color corresponds to positive values (electron density). Electron and hole densities are extended along the molecule at $0^{\circ}$ and $90^{\circ}$ and no localization of the excitation occurs. }
\label{fig:waterfalls}
\end{figure}

The optical absorption spectra resulting from $GW$-BSE are shown in Fig.~\ref{fig:waterfalls}. DFT optimized geometries were used in (a) and MD energy minimized geometries using the modified force field were used in (b). The height of the curves indicates the strength of the excitation. Comparing both results, it is evident that  the same dependency on the torsional angle is obtained by both approaches. With increasing twist from $\unit[0]{^\circ}$ to $\unit[90]{^\circ}$ the main absorption peak gradually shifts to higher energies while its strength decreases at the same time until it vanishes at $\unit[90]{^\circ}$. Inspection of the electron and hole densities of the excitations for co-planar and perpendicular (see bottom of Fig.~\ref{fig:waterfalls}) also reveals no localization of the excitation during the rotation confirming that the conjugation via the C$\equiv$C bond is indeed strong. The identical behavior of the lowest energy excitations (which are typically those of interest) for both MM/MD and DFT conformations indicates that the modified force field is suitable for use in QM/MM calculations.

\begin{figure}
\includegraphics[width=\linewidth]{optical}
\caption{Lowest optically active excitation energies in $n$-PPE as the number of repeat units is increased in from $n$=1 to $n$=10. Results obtained on DFT (MM/MD) geometries are shown as green points (red triangles). the respective dashed lines indicate the fit to the quantum-size model. The gray shaded area indicates the width of the experimental data~\cite{halkyard_evidence_1998}.}
\label{fig:optical-oligomers}
\end{figure}

So far the analysis has been limited to small model systems. As a next step towards more realistic system sizes, {\em para} phenylene ethynylene (PPE) oligomers (see Fig.~\ref{PPE-chem}) are investigated. Increasing the number of repeat units $n$ from one to 10, lowest optically active excitation energies were computed with $GW$-BSE for geometries optimized using quantum (\textit{GW}-BSE@QM) and force field (\textit{GW}-BSE@MM) approaches, respectively. The results shown in Fig.~\ref{fig:optical-oligomers} exhibit a monotonous decrease with $n$ for both approaches. Such a strong size-dependence can be traced back to an increase in the size of the conjugated system. From the particle-in-a-box model, one can estimate, e.g., the optical excitation energy of an infinitely long chain via $\Omega(n) = \Omega_\infty - a/n$. By fitting the data for $n>3$ to this model, a value of $\Omega^\text{QM}_\infty = \unit[3.08]{eV}$ is obtained for QM geometries. For
$n>7$ the respective excitation energies vary only slightly and approach the region in which experimental absorption is measured in experiment~\cite{halkyard_evidence_1998}. This indicates that studying more complex morphologies, i.e., solvated polymers, based on oligomers with $n=10$ is an adequate choice. For MM geometries, the absorption energies result slightly higher, evidenced by the estimate of $\Omega^\text{MM}_\infty = \unit[3.33]{eV}$. Upon further inspection, this offset of \unit[0.25]{eV} with respect to $\Omega^\text{QM}_\infty$ is a cumulative result of slight discrepancies in bond length within the phenylenes and the $C-C$ bridge bonds. In conclusion, the use of geometries determined using MM/MD in $GW$-BSE calculations can be expected to lead to slight quantitative overestimates of excitation energies. Qualitatively, however, a satisfying agreement is found.

\subsection{Absorption and emission of solvated 2,5-dinonyl-10-PPE}
\begin{figure}
\includegraphics[width=\linewidth]{conf_fragments}
\caption{(a) Sample configuration of 2,5-dinonyl-10-PPE solvated in toluene. Nonyl side chains are indicated in red and solvent molecules are not shown for clarity. (b) Definition of three types of rigid fragments used in back mapping of the backbone conformations used in the QM/MM setup.}
\label{fig:fragments}
\end{figure}

As an example of a typical application of a combined quantum-classical simulation of optical excitations, a single chain of 10-PPE was functionalized by nonyl side chains in 2,5 positions of the phenyl rings and solvated by toluene. The modified PCFF force field for the PPE backbone is used in combination with OPLS for nonyl and toluene. For details of the simulations, see Ref.~\citenum{bagheri_solvent_2016}. A sample configuration of backbone and side chains is shown in~\Fig{fragments}(a). Since toluene is a poor solvent for the nonyl, one can observe extended and partially strongly interacting side chains. As a consequence, the backbone is under considerable non-uniform stress leading to the overall curvature of the usually rigid polymer.

A set of 11 snapshots with a time step of \unit[1]{ps} is taken from the classical MD trajectory and each of the snapshots is partitioned into a quantum (the backbone) and a classical region comprising the side chains and the solvent molecules. QM and MM regions interact via static partial charge distributions. The aim of this setup is to evaluate the excitations of the polymer backbone taking its curved conformation into account while reducing discrepancies between the force-field and QM geometries, as much as possible. At the same time, the bridging carbon-carbon bond between the phenyl 2 and 5 positions and the nonyl side chain, defining the boundary between QM and MM regions, needs to be broken and the dangling bond saturated by hydrogen atom. This can be achieved with the help of a re-mapping scheme based on the definition of molecular fragments. Using centers of mass and gyration tensors, fragments of optimized QM configurations were mapped onto the orientation and alignment of the corresponding fragments in the MD configurations.

\Fig{fragments}(b) illustrates the re-mapping scheme for PPE. Each phenyl ring (PHE), ethyne pair (ETH), and terminal methyl group (CH3) is defined as a unique fragment. A 10-PPE backbone is hence subdivided into a total of 23 fragments (10 PHE, 11 ETH, 2 CH3) for mapping purposes.

\begin{figure}
\includegraphics[width=\linewidth]{emission_absorption}
\caption{Optical absorption (blue) and emission (blue) spectra for 2,5-dinonyl-10-PPE in toluene as obtained from $GW$-BSE/MM calculations using fragment based re-mapping. Both spectra are averages over 11 snapshots taken every \unit[1]{ps}, respectively. A Stokes shift (red shift) of \unit[0.29]{eV} is found, which compares well to experimental observations of \unit[0.3-0.4]{eV}~\cite{halkyard_evidence_1998}.}
\label{fig:emission}
\end{figure}

With the re-mapped conformations at hand, the coupled $GW$-BSE/MM system is solved and the absorption spectrum determined as an average over the eleven snapshots. Individual spectra are broadened by Gaussian functions with a FWHM of \unit[0.3]{eV} and the resulting spectrum is shown as a blue line in \Fig{emission}. It is characterized by a single peak at an energy of \unit[3.64]{eV}, which is larger than the value of \unit[3.11]{eV} obtained for an isolated single oligomer. This spectral blue shift is a direct result of the polymer's curvature constrained by the side chain interactions. With the re-mapping scheme it is also possible to approximate emission spectra by using excited state QM geometries as a reference~\cite{note_ESGeo}. Upon excitation, electrons are promoted to higher, often anti-bonding, molecular orbitals causing an extension of bonds. Constrained by side chains, a more general modification of the overall conformation can (at least on short time scales) not be expected. Solving the $GW$-BSE/MM system based with excited state re-mapping yields the emission spectrum shown as a red line in \Fig{emission}. While the no changes in the spectral shape can be noted, the peak position of the emission is red-shifted by \unit[0.29]{eV} compared to the absorption peak. This Stokes shift is in good agreement with experimental data in the range of \unit[0.3-0.4]{eV}~\cite{halkyard_evidence_1998}.

\section{Conclusions}
\label{sec:conclusions}
A combination of atomistic (MM/MD) and DFT calculations were performed to describe conformational  properties of diphenylethyne (DPE), methylated-DPE and poly para phenylene ethynylene (PPE). MM/MD simulations based on PCCF* force field were not able to provide a good description of the ground state conformation of the DPE molecule. Due to this, DFT calculations were employed to develop force field parameters to improve the MM/MD simulations. The modified force field was able to describe the conformation  of methylated-DPE in  agreement with DFT results. The $GW$-BSE method was utilized to describe excited states of the methylated-DPE and $n$-PPE polymer with $n=1,2,\dots,10$. Optical excitations were obtained for the methylated-DPE and $n$PPE based on MM/MD energy  minimized structures using the modified force field and DFT optimized geometries. The results for methylated-DPE  show that the lowest energy excitations based on the MM/MD conformations and DFT optimized geometries  follow the same pattern. This nearly identical behavior for the lowest energy excitations indicates that one can describe optical excitations using the $GW$-BSE method based on  MM/MD conformations. Results for the excitation energies for $n$PPE indicate that there is an overall agreement between the results of $GW$-BSE based on MM/MD energy minimized structures and DFT optimized geometries. There is a discrepancy of around 0.25~eV between the two. This discrepancy is a cumulative result of geometric differences between MM/MD and DFT structures. Overall agreement between MM/MD  and QM based excitations  is enough to validate the use MM/MD conformations as the basis for calculation of optical excitations with $GW$-BSE method.

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\end{document}

redpajama_set_name: RedPajamaArXiv


Since Takeru Kojima became the Japanese agent for Danish Micon in 1991, founding his company, Ecology Corp, in the same year, he has sold 18 wind turbines. Not an enormous number, but more than half of the almost 30 machines running in the country. From those beginnings he has galvanised a string of Japan's top businessman into backing a new company, EcoPower Ltd, which last month announced its ambitious plans for wind energy.
Power hungry Japan suddenly seems to have realised that it has a wind energy resource going to waste. A group of some of the most powerful companies in the country is lining up behind an initiative to get more than 60 MW of wind plant in the ground (story page 20). But for the small group of businessmen behind the plan, there is nothing sudden about the new wind of interest in Japan. Behind it lies six years of hard work, masterminded by Takeru Kojima, a 36 year old firebrand who says he has fought a steady headwind while trying to convince sceptical bureaucrats, foreign suppliers and customers about the benefits of wind power.
Since Kojima became the Japanese agent for Danish Micon in 1991, founding his company, Ecology Corp, in the same year, he has sold 18 wind turbines. Not an enormous number, but more than half of the almost 30 machines running in the country. From those beginnings he has galvanised a string of Japan's top businessman into backing a new company, EcoPower Ltd, which last month announced its ambitious plans for wind energy.
Despite Kojima's relatively young age, at least according to Japanese business standards, he has managed to win over the Japanese authorities to the idea of Danish wind turbines. Convincing them of the safety of these foreign oddities was a monumental battle, with the Japanese refusing to accept the international standards to which the turbines were certified. Only once they were certified as living up to Japanese safety standards were the turbines acceptable, says Kojima.
Such troubles are history, however, and Kojima says he now has a good relationship with the authorities. But he still has to convince the sceptical Japanese that there is enough wind in Japan to be worth harnessing. Much of this headwind stems from the nuclear lobby, which has dripped negative information about wind power to the press over many years -- and the Japanese are not renowned for questioning the authorities. But Ecology Corp's own wind measurements, backed by others, indicate there are potential sites for 20,000-40,000 wind turbines in Japan.
Several serious mishaps in Japanese nuclear power plants over the past two years have probably helped Kojima in his battle for recognition for wind power. People are questioning whether nuclear is as safe as they have been led to believe. What really matters in Japan, however, when it comes to getting things moving, is big business. Kojima has been remarkably successful in courting some of the country's biggest companies -- with an impressive list of shareholders in the new EcoPower Co Ltd.
Securing the charismatic professor and business man Sachio Semmoto as chairman and investor in EcoPower is a scoop indeed. As one of the founders of private telephone company DDI, Semmoto was instrumental in breaking the telecomms monopoly in Japan. Having sold his shares in DDI he is probably a rich man, but Semmoto is not one to sit about. Sharing the concern in Japan that the country does not spawn enough business entrepreneurs to start small companies, as is common in the United States, Semmoto now lectures in venture business at Keio University. It was Kojima's hard work and vision that caught the eye of Semmoto.
"EcoPower and Mr Kojima are going to be a study case for my students. They will realise that venture business is actually possible in Japan," Semmoto told a press gathering on September 3 to announce the founding of EcoPower.
By having Semmoto on board, Kojima has no doubt broadened his network to the top echelons of some of the biggest Japanese companies. In Japan, personal relations are often more important than the actual business. EcoPower's shareholders have tacitly admitted that their interest in wind energy was galvanised on the strength of a call from Semmoto. His involvement in the wind venture, along with several other big names, was sufficient to draw a sizeable press contingent in early September.
Ironically, Kojima's first job was in a big oil company after graduating from university. But after seven years he started his own business consulting company helping small Japanese companies to expand. This brought him in contact with a Danish company, which agreed to supply its products to one of his clients.
But then came the Gulf War and the Danish manufacturer decided the Japanese market was too small and difficult. Kojima was stung by the decision, which he felt was not only unfair, but also revealed a lack of good sense about an attractive business opportunity. Undaunted, he boarded a flight to Denmark for a face to face talk, "Samurai to Viking." His ruse worked and the problems were solved in five minutes. The Danish business man invited Kojima to dinner at the local inn -- and on the way Kojima saw his first wind turbine turning in the Danish countryside. He also saw a business opportunity.


Papaya is a fruit which is jam packed with numerous health benefiting nutrients. Try this easy version of Microwave Papaya Jam.
1. Put chopped papayas in a microwave proof bowl. Microwave covered for 3 minutes or till papayas are softened. Mash well.
2. Add sugar and lemon juice or orange juice. Microwave uncovered for 8 minutes or till dry.
3. Transfer to a sterilized jar and refrigerate. Serve with toasted bread.
Lovely recipe …Best wishes for a very very happy and prosperous new year 2012.


text:
layout: main
title: About
---

About

Self-introduction

      Hi, I'm Noah, 21 years old, japanese software engineer with one and a half years of experience in Ruby and Javascript.
      I have been mainly involved in web application development all the time in these programming languages as an internship.
      But now I'm developing the Single Page Application in AngularJS and Ruby on Rails as an contract employee.

Skills

      My technical skills are as follows.

          Ruby

Ruby on Rails

          Javascript

AngularJS

ReactJS

Gulp, Webpack

Node.js

HTML(5), Slim

SCSS

MySQL, Redis

AWS

C

etc...

Interest

      Currently, I'm interested in native application development with React Native and
      developing application to notifier Github Notifications to the smartphone in my holiday.
      This is a prototype I developed in a hackathon in two days.
      Some day I hope I can publish it on App Store.

Future

      In the future I would like to develop and provide software that makes people arround the world happy.
      So I'm learning basic knowledge and advanced technology about software and network,
      and I'm involved in every business.

Summary

      Thank you for reading to the end. I'm planning to output what I have learned to this blog,
      so please contact me anytime if you are interested in me. hahaha :)

redpajama_set_name: RedPajamaGithub


AddressThe address for this sale in Minneapolis, MN 55407 will no longer be shown since it has already ended.
Shoes off, please (due to weather).
Numbers at 8 a.m. No early birds, please.
Please do not contact about pricing and availability during sale hours.
Hundreds of new items for sale, including an amazing selection of vintage holiday treasures!
- Huge collection of Shiny Brite ornaments, some in original boxes, from every decade.
- Vintage ribbon, garlands, and ornaments.
- Large selection of vintage Christmas light boxes and string lights.
- Newer ornaments, many still in the box including MOMA collection, Smithsonian, Christopher Radko, Saks 5th Ave, Kosta Boda, and more.
- Great barware, including German beer glasses, steins, decanters, cocktail glasses, mid-century stirrers, pitchers, and coasters.
- Antique clocks, vintage tools, and tool chest, horse accessories (collar, reins, and more), farmhouse decor, cigar boxes, balance scale, vintage stamps, postcards, greeting cards.
- Whole room of vintage games and toys: Fisher-Price playsets including Sesame Street, castle, barn, airport, house, and many more; Care Bears, Strawberry Shortcake, My Little Pony, Rainbow Brite, '80s bedding, lunch boxes, and small toys.
- Full shelf of vintage games! MOTU, Hot Wheels, Micro Machines, Tonka trucks, Lincoln Logs, Tinker Toys, tin toys, Dungeons and Dragons castle, too much to list!
- Crystal, sterling silver, pottery, and glass including Orrefors, Francoma, Wedgewood, and many more. Framed artwork, photographs, and paintings.
- Antique jewelry, watches, hats, and clothing from Victorian to mid-century. Great assortment of vintage clothes from the '60s, '70s, '80s, and '90s.


Or rather, the Legion of Sandmen. I couldn't decide on one to go with so I threw a bunch of them in there.
Wow. Evan, I think you win, man.
Fantastic work, man! I love it.
Love the night time colors, T-Shane!
Nice. It's what always goes through my mind when I think Sandman. Which one? ALL OF THEM!


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Vulture Lists
Vulture Insiders
Vulture Festival
collaboratons May 21, 2015
Drake and Beyoncé Made Another Song Together, and It's Almost Done
By Nate Jones
A snippet of Drake's "Can I" has been floating around the internet for a few days, but last night we got the most polished version yet, and guess what — it's got Beyoncé in it! Just a little bit — basically all she says is "Can I?" — but there will likely be more Bey in the finished version. Given the star power involved here, we have to assume "Can I" is from Drake's forthcoming Views From the 6. No rest at the kingdom, indeed.
http://turntprincess.tumblr.com/post/119508021385
views from the 6
collaboratons
Hear a New Drake-Beyoncé Collaboration, 'Can I?'
Game of Thrones, The Marvelous Mrs. Maisel Lead 2019 Emmy Nominations
Emmy Nominations 2019: The 24 Biggest Surprises and Snubs
New on Netflix: July 2019
The Bachelorette Recap: Breaking Faith
The 100 Best Movies on Netflix Right Now
roll clip! 23 mins ago
overnights 5:00 a.m.
The Handmaid's Tale Recap: Do No Harm A claustrophobic pseudo-bottle episode pushes June even further down the path of madness — but to what end?
music 1:15 a.m.
Chance the Rapper Finally Shares the Details on His Debut Album The Big Day arrives July 26.
comedy 12:07 a.m.
Anthony Jeselnik Clarifies That Louis C.K. Did Not Steal His Jokes But that in hindsight it doesn't, um, really matter anymore.
trailer mix 12:00 a.m.
netflix Yesterday at 11:44 p.m.
Netflix Unveils The Red Sea Diving Resort Trailer and It's Intense But Chris Evans's beard will comfort you.
beyonce presents: the lion king Yesterday at 10:33 p.m.
domestic violence Yesterday at 9:55 p.m.
Judge Grants Restraining Order Against The Bachelor Creator Mike Fleiss Laura Fleiss claims her husband attacked her and demanded she have an abortion.
2019 emmy awards Yesterday at 7:22 p.m.
A Crowded 2019 Emmy Slate Juggles an Abundance of Good Options Peak TV is peakier than ever, and even more so than in recent years, worthy parties were bound to get left out.
summer forever! Yesterday at 5:12 p.m.
Peter Parker's Summer Euro Trip Was Okay, But Lizzie McGuire's Was Better We must pay our respects to the once and future queen of summer school-trip shenanigans: Miss Elizabeth Brooke McGuire.
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Harry Styles in Talks for The Little Mermaid's Prince Eric, Isn't That Neat? He might kiss the girl.
now streaming Yesterday at 5:00 p.m.
The 30 Best Action Movies on Netflix Right Now Triple Frontier, The Terminator, The Dark Knight, and more.
emmy awards 2019 Yesterday at 4:12 p.m.
Fleabag's Sian Clifford on Her First Emmy Nomination: 'I Hit the Floor and Wept' "Find your champions, because Phoebe Waller-Bridge is mine."
Mandy Moore Will Not Let a Rattlesnake Ruin Her Emmy Nomination "My husband's like, 'There's a snake outside.'"
t4or Yesterday at 3:22 p.m.
More Thor in Store, Taika Waititi to Direct Thor 4 But his Akira adaptation has been put on hold.
Emmy Nominations 2019: The 24 Biggest Surprises and Snubs Yay, Fleabag! But really, no Rhea Seehorn?
All of the Best TVs on Sale for Amazon Prime Day All of the best TV deals from Amazon's Prime Day sale in one place.

redpajama_set_name: RedPajamaCommonCrawl


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Debate Night In America
(Optional Video AccompanimentTo This Post)
The blood moon rose before dawn today over an exhausted nation. In all corners, it seemed, last night saw vicious verbal sparring, bloodcurdling rhetorical carnage, and the noble self-sacrifice of talking-points at all points of the compass. A terrible beauty -- or, at least, a murder of well-financed attack ads -- was born. Except here in the Commonwealth (God save it!), where all five candidates for governor met in debate, and everything was comparatively gentle and soothing. The two major-party retreads -- Democratic attorney general Martha Coakley, and Republican health care executive Charlie Baker -- shared the stage with three independent candidates, all of whom livened up the proceedings, but nobody livened them up more than Scott Lively, who got the word "Marxist" into his opening sentence and was off to the races from there. Baker sold his Bill Weld Reasonable Republican cred pretty well, although Coakley got in a clean shot when they were talking about health care costs and she asked Baker why his salary at Harvard Pilgrim Health Care had increased eleventy-thousand percent, and all Baker could do was mumble something about how his paycheck was in line with "industry standards," which, of course, was Coakley's whole point. All said, though, it was no harm, no foul, all around.
The same cannot be said about the confrontations elsewhere, especially in the hotly contested Senate races. In the newly insane state of North Carolina, for example, incumbent Democratic senator Kay Hagan went after Thom Tillis for being a power in the newly insane state legislature that has helped North Carolina become newly insane. For his part, Tillis tried to make Hagan a de facto member of the president's extended family, to which Hagan replied that she was no such thing and, to prove it, she announced her support for our old friend, the Keystone XL pipeline, the continent-spanning death funnel which, as it happens, is not going to run through North Carolina's aquifers. This is when my cerebellum began to ignite. However, Hagan did manage to make the case that Tillis is something of a maroon. He attacked her for missing committee meetings, but he got her committee wrong, and she parked a question about the president's policy on containing the threat of ISIL by pointing out that Tillis had no plan of his own. And, when moderator The Clinton Guy Shocked By Blowjobs asked Tillis to name an issue on which he would stand up to the Republican leadership in what may be a Republican majority in the Senate, Tillis started to burble about Harry Reid. "You want to ask him your question again?" Hagan said.
(And yes, this received wisdom that the only way you can truly prove your political bona fides is by promising to kick your own party, and its voters, in the teeth drives me crazy, too. We continue.)
Traveling south from there, we arrive in Georgia, where the crowd became the star, which is my kind of debate, actually. We have far too few howling mobs in our politics these days, and Michelle Nunn and David Perdue performed for one last night. Perdue has had a rough week after it was revealed that, in a 2005 deposition, he admitted that he was rather proud of his skills at outsourcingmanufacturing jobs. (Perdue did not help matters when he was asked how he would defend these comments and his record, and he replied "Defend it? I'm proud of it! As the consultants reach for the needle and spoon.) So, when Perdue tried to tie Nunn to the administration, Nunn had a pretty heavy club with which to swing back. And considerablehootin' and hollerin' ensued.
The crowd, tilted heavily toward Perdue, cheered his response while a smaller but vocal contingent of Nunn supporters booed. The debate was frequently interrupted and the candidates' words drowned out by cheers and boos from the crowd, along with chants of "Nunn of that" and "Tell the truth."
Meanwhile, out in the thin air of Colorado, Mark Udall and Cory Gardner walked a similar path, with Gardner trying to tie Udall to the administration and to the Antichrist Of Flashlight, Harry Reid, and Udall pointing out that Gardner had made a career trodding the boards of the wingnut freak show before stepping onto the big stage.
For Gardner, the questions highlighted how he changed his position on personhood and his continued support of a similar federal bill. Gardner downplayed the inconsistency, calling the federal measure "simply a statement that I support life." Both candidates avoided direct answers to pointed questions. Udall sidestepped a question about his opinion on Obama's job performance. Gardner avoided question seeking more details about the cancellation of his own health insurance coverage under the federal health care, which is making an issue in the race.
So, here's where the debate regarding control of the Senate stands less than a month out.
REPUBLICAN: "Obama! Harry Reid! Obama!"
DEMOCRAT: "I know these men not."
DEMOCRAT: "I tell you, I know them not."
REPUBLICAN: "Harry Reid! Obama! Harry Reid!"
DEMOCRAT: "I do not know the man."
(Cock crows)
REPUBLICAN: "HARRY OBAMA! REID, REID, REID, OBAMA!"
DEMOCRAT: "You're running against me, not against them, and I love death funnels that carry cancer juice through states not my own and, while we're on the subject, when did you stop being completely fcking crazy anyway?
If you're not depressed, you're not paying attention.
America, 2014
Why America Is Still Great
Reasons To Give Up On America
The Scientific Method Of Idiocy in America
Dead Of Night: The Ferguson Decision


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Title: Muslims in Birmingham : religious activity in mosques and para-mosques
Author: North, Cornelius William
Awarding Body: The University of Birmingham
Current Institution: University of Birmingham
The original intention of this thesis was to record the Muslim dimension of religious faith that is not to be found in Sir Richard O'Brien's report Faith in the City of Birmingham. The work therefore opens with an overview of Muslim settlement in Birmingham. The thesis asserts that religious activity can be found most obviously in Mosques, but is also present in what has been described as `para-mosques'. Section one, consisting of the first five chapters, is therefore a study of the four major mosque groupings in the City and of the Islamic education which is common to them all. Section two consisting of chapters six, seven and eight is a study of para-mosques. Chapter six describes an important free standing para-mosque in the district of Balsall Heath. Chapter seven describes two para-mosques that are sponsored by and administratively connected with specific mosques in the districts of Alum Rock and Small Heath. Chapter, eight asserts that the major thrust of the Muslim Education Consultative Committee's religious activities can be interpreted as the function of a specialist para-mosque targetting the interests of Muslims in state education. The religious activity to be found in both mosques and para-mosques is of two kinds. Prior to the turn of the fifteenth Islamic century, most religious activity was a transplant of worship and religious teaching from the subcontinent characterised by adherence to tradition This type of activity continues, but from about 1979, has been supplemented by activity - still religious - but qualitatively different inasmuch as it is designed to meet the contemporary and situational needs of the whole local community. This latter activity is characterised by creative adaptation. These two modes of religious activity do not exclude each other; both can sometimes be found in the same religious organisation and on the same premises. The same individuals are frequently involved actively in both modes. Both modes are to be found across the spectrum of differences in religious practice to be found within the Sunni community of Birmingham. The research provides evidence of the growing assertion of a Muslim identity based not on ethnicity but on religion. Attention is drawn to the important part played by religious activity in giving Muslims the necessary cohesion and self confidence to overcome the difficulties associated with permanent settlement in Birmingham and with the acquisition of British citizenship for their families. In this connection four local strategies for developing an appropriate form of Muslim identity are described, varying from religious encapsulation to active cooperation with the host community in the sphere of Muslim-Christian relations.
Supervisor: Not available Sponsor: JISC Digital Islam


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The Lucknow Cavalry Brigade was a cavalry brigade of the British Indian Army formed in 1911 as a result of the Kitchener Reforms.  It was mobilized as 8th (Lucknow) Cavalry Brigade at the outbreak of the First World War as part of the 1st Indian Cavalry Division and departed for France.  It served on the Western Front with the division until it was broken up in March 1918.

The brigade was reformed in April 1920 and broken up in 1923.

History
The Kitchener Reforms, carried out during Lord Kitchener's tenure as Commander-in-Chief, India (1902–09), completed the unification of the three former Presidency armies, the Punjab Frontier Force, the Hyderabad Contingent and other local forces into one Indian Army.  Kitchener identified the Indian Army's main task as the defence of the North-West Frontier against foreign aggression (particularly Russian expansion into Afghanistan) with internal security relegated to a secondary role.  The Army was organized into divisions and brigades that would act as field formations but also included internal security troops.

The Lucknow Cavalry Brigade was formed in October 1911 as a result of the Kitchener Reforms.  The brigade was one of the last to be formed before the outbreak of the First World War.  It formed part of the 8th (Lucknow) Division in peacetime.

8th (Lucknow) Cavalry Brigade

In September 1914, the brigade was mobilized as the 8th (Lucknow) Cavalry Brigade and assigned to the 1st Indian Cavalry Division.  With the division, it departed Bombay on 16 October 1914 and landed at Marseilles on 7 November.  However, the brigade did not reach the Front until 8–10 December due to horse sickness.  While in France, the brigade was known by its geographical rather than numerical designation so as to avoid confusion with the British 8th Cavalry Brigade also serving on the Western Front at the same time.

Other than the Battle of Cambrai when it helped to hold the German counter-attack, it was not involved in battle. Instead, it was held in reserve in case of a breakthrough, although it did send parties to the trenches on a number of occasions. They would hold the line, or act as Pioneers; such parties were designated as the Lucknow Battalion.

Dissolved
In March 1918, the brigade was broken up in France. The British units (1/1st Queen's Own Yorkshire Dragoons and U Battery, RHA) remained in France, 12th Machine Gun Squadron was broken up on 14 April 1918 and the Indian elements were sent to Egypt.  On 24 April 1918, these were merged with the 8th Mounted Brigade of the Yeomanry Mounted Division. On 22 July 1918 the 8th Mounted Brigade was redesignated as 11th Cavalry Brigade and the division as 4th Cavalry Division.

Post war
The Lucknow Cavalry Brigade was reformed in April 1920.  In September 1920 it was designated as the 4th Indian Cavalry Brigade until 1923 when it was broken up.

Orders of battle

Commanders
The Lucknow Cavalry Brigade / 8th (Lucknow) Cavalry Brigade had the following commanders:

The new Lucknow Cavalry Brigade / 4th Indian Cavalry Brigade was commanded throughout it existence (April 19201923) by Major-General L.C. Jones.

See also

 22nd (Lucknow) Brigade
 Indian Cavalry Corps order of battle First World War
 Indian Expeditionary Force A

Notes

References

Bibliography

External links

C08
Cavalry brigades of the British Indian Army
Military units and formations established in 1911
Military units and formations disestablished in 1918

redpajama_set_name: RedPajamaWikipedia


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MOVIE REVIEW : 'Penitentiary III' Unrepentantly Earthy
By KEVIN THOMAS
Within the first few minutes of the raw and dynamic "Penitentiary III" (citywide), writer-director Jamaa Fanaka deftly maneuvers boxer Too Sweet Gordone (Leon Isaac Kennedy) back into prison. Having been slipped a mind-bending strength-enhancing drug during a match, Too Sweet gets three years for manslaughter after having slugged his opponent to death.
It seems that the epicene villain Serenghetti (Anthony Geary) wants Too Sweet back in the slammer so he can become part of his stable of boxers. Serenghetti lives like royalty in his lavishly appointed cell, attended by the elaborately gowned drag queen Cleopatra (amusingly played by female illusionist Jim Bailey), because he's learned how to exploit the warden's (Ric Mancini) weakness for gambling.
12:00 AM, May. 14, 1988 For the Record
Los Angeles Times Saturday May 14, 1988 Home Edition Calendar Part 6 Page 7 Column 2 Entertainment Desk 1 inches; 21 words Type of Material: Correction
The release date for "Penitentiary III," reviewed in Friday's Calendar, has been changed and no new date has been set yet, according to Cannon Films.
"Penitentiary III" (MPAA-rated R for violence) is pure action fantasy, but Fanaka pushes its possibilities to the limit. Too Sweet, so well played by the wiry and talented Kennedy, is a mythical figure, the wronged, oppressed black man who overcomes injustice not merely by his fists but by strength of character, spirit and discipline. Indeed, Fanaka is a film maker of such abundant passion and control that his film seems all but sculpted, resulting in an exploitation picture at its most stylized. "Penitentiary III" is fast, raunchy, angry, earthy, funny. It's just plain dynamite, yet also works very effectively as an allegory.
In Fanaka's skilled hands the cast manages to bring a realistic dimension to the fantasy figures they play, while Geary, who's developed into a nervy, risk-taking character actor-comedian in the years since he left "General Hospital," provides much of the comic relief. Steve Antin is Too Sweet's likable, ill-fated pal, and Marie Burrell Fanaka is a boxer from the women's prison who wins Too Sweet as her very personal trophy. Mancini does a yeoman job of making plausible the comic-book character that is the warden. Wrestlers Rick Zumwalt, Magic Schwarz and the initially very scary Haiti Kid have key roles.
By now the "Penitentiary" movies are as much about their maker as their hero. Jamaa Fanaka, a 1979 UCLA graduate in film, is clearly as eager to break out of the prison genre formula he has mastered so well as Too Sweet is to win his freedom. Like Too Sweet, Fanaka has paid his dues--and then some.
12:00 AM, May. 14, 1988: For the Record