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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  
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals 期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
Authors:  Cao, Wudi;  Senthilkumar, Beeran;  Causin, Valerio;  Swamy, Vincent P.;  Wang, Yanting;  Saielli, Giacomo
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MOLECULAR-DYNAMICS SIMULATIONS  SPATIAL HETEROGENEITY  THERMAL-BEHAVIOR  CHAIN-LENGTH  GUANIDINIUM  TRANSITION  AGGREGATION  TRANSPORT  INSIGHTS  STATE