NRMC - a GPU code for N-Reverse Monte Carlo modeling of fluids in confined media
收藏Mendeley Data2017-05-01 更新2026-04-09 收录
下载链接：
https://data.mendeley.com/datasets/kbbgbkn68m/1
下载链接
链接失效反馈官方服务：
资源简介：
NRMC is a parallel code for performing N-Reverse Monte Carlo modeling of fluids in confined media [V. Sánchez-Gil, E. G. Noya and E. Lomba, J. Chem. Phys. 140, 024504 (2014)]. This method is an extension of the usual Reverse Monte Carlo method to obtain structural models of confined fluids compatible with experimental diffraction patterns, specifically designed to overcome the problem of slow diffusion that can appear under conditions of tight confinement. Most of the computational time in N-Reverse Monte Carlo modeling is spent in the evaluation of the structure factor for each trial configuration, a calculation that can be easily parallelized. Implementation of the structure factor evaluation in NVIDIA® CUDA so that the code can be run on GPUs leads to a speed up of up to two orders of magnitude.
创建时间：
2017-05-01
