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Parallel atomistic simulations
GS Heffelfinger - Computer Physics Communications, 2000 - Elsevier
Algorithms developed to enable the use of atomistic molecular simulation methods with
parallel computers are reviewed. Methods appropriate for bonded as well as non-bonded …
parallel computers are reviewed. Methods appropriate for bonded as well as non-bonded …
NWChem: Exploiting parallelism in molecular simulations
TP Straatsma, M Philippopoulos… - Computer Physics …, 2000 - Elsevier
NWChem is the software package for computational chemistry on massively parallel
computing systems developed by the High Performance Computational Chemistry group for …
computing systems developed by the High Performance Computational Chemistry group for …
Parallel computations of molecular dynamics trajectories using the stochastic path approach
V Zaloj, R Elber - Computer Physics Communications, 2000 - Elsevier
A novel protocol to parallelize molecular dynamics trajectories is discussed and tested on a
cluster of PCs running the NT operating system. The new technique does not propagate the …
cluster of PCs running the NT operating system. The new technique does not propagate the …
Load balancing of molecular dynamics simulation with NWChem
TP Straatsma, JA McCammon - IBM Systems Journal, 2001 - ieeexplore.ieee.org
NWChem is a computational chemistry software suite developed for massively parallel
computers in the WR Wiley Environmental Molecular Sciences Laboratory at the US …
computers in the WR Wiley Environmental Molecular Sciences Laboratory at the US …
Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion
In recent years several implementations of molecular dynamics (MD) codes have been
reported on multiple instruction multiple data (MIMD) machines. However, very few …
reported on multiple instruction multiple data (MIMD) machines. However, very few …
サブタスク間の依存関係に基づくスケジューリング機構を備えた並列プログラミング環境の開発
関嶋政和， 高崎慎也， 中村周吾， 池口満徳… - 情報処理学会論文誌 …, 2000 - ipsj.ixsq.nii.ac.jp
論文抄録 本論文では, 大規模並列・分散システムにおいて, 基盤となるハードウェア環境および
アプリケーションに柔軟に適応できる資源管理機能を備えた並列プログラミング環境 Parsley …
アプリケーションに柔軟に適応できる資源管理機能を備えた並列プログラミング環境 Parsley …
[TRÍCH DẪN][C] Molekulardynamische Simulation einer voll hydratisierten Dipalmitoyl-glycero-phosphatidylcholin-Membran
R Schmelter - 2002 - Universität Dortmund
[TRÍCH DẪN][C] An Innovative Process for the Design & Development of HIV-1 Reverse Transcriptase Inhibitors
DJ Smith - 2007 - The University of Wollongong