A linear (elliptic) problem in molecular electrostatics is considered. To solve it, we propose an efficient Monte Carlo algorithm. The method utilizes parallel computing of point potential values. It is based on the walk-in-subdomains technique, walk-on-spheres algorithm, and an exact treatment of boundary conditions.
['Charles R. Fleming', 'Michael Mascagni', 'Nikolai A. Simonov']
An efficient monte carlo approach for solving linear problems in biomolecular electrostatics