Capturing the nuclear quantum effects in molecular dynamics for lattice thermal conductivity calculations: Using ice as example.Molecular dynamics (MD) is a powerful (and the most viable) tool to compute the thermal conductivities of solid disordered materials.  While the importance of NQE has been widely acknowledged, yet we do not have a fully reliable method to account for NQE in the MD thermal conductivity calculations.  In addition, we will show that the rigid water model, which is the state-of-the-art model in the studies of ice/water systems, fails to capture most of the NQEs in ice thermal conductivity. 
THERM