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GROMACS 2020在ROCm平台上的移植与优化 期刊论文
计算机工程与科学, 2021, 卷号: 43, 期号: 11, 页码: 1901-1909
Authors:  张驭洲;  曹武迪;  卜景德;  谭光明;  吉青
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分子动力学  GROMACS  ROCm  应用移植  性能优化  
Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smectic-A Ionic Liquid Crystal by Molecular Dynamics Simulation 期刊论文
CRYSTALS, 2019, 卷号: 9, 期号: 1, 页码: 26
Authors:  Cao, WD;  Wang, YT
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SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
Authors:  Cao, WD;  Wang, YT;  Saielli, G
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HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
The Parallel Performance Optimization of The MS-CG Method 会议论文
PROCEEDINGS OF 2018 7TH INTERNATIONAL CONFERENCE ON SOFTWARE AND COMPUTER APPLICATIONS (ICSCA 2018), Kuantan, MALAYSIA, FEB 08-10, 2018
Authors:  Wang, T;  Xu, J;  Wang, YT;  Cao, WD;  He, BJ
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MOLECULAR-DYNAMICS