NWChem: Exploiting parallelism in molecular simulations
From MaRDI portal
Publication:1578184
DOI10.1016/S0010-4655(00)00054-0zbMath0955.92040OpenAlexW2050312036MaRDI QIDQ1578184
M. Philippopoulos, T. P. Straatsma, J. Andrew McCammon
Publication date: 30 January 2001
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/s0010-4655(00)00054-0
Chemistry (92E99) Parallel numerical computation (65Y05) Computational methods for problems pertaining to biology (92-08) Software, source code, etc. for problems pertaining to biology (92-04)
Related Items (2)
A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape ⋮ \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
Uses Software
This page was built for publication: NWChem: Exploiting parallelism in molecular simulations
