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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  
Liquid-Liquid Phase Separation of Viologen Bistriflimide/Benzene Mixtures: Role of the Dual Ionic and Organic Nature of Ionic Liquids 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 36, 页码: 7929-7937
Authors:  Li, Shen;  Safari, Niloufar;  Saielli, Giacomo;  Wang, Yanting
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BENZENE MIXTURES  CRYSTALS  DYNAMICS  BEHAVIOR  
Multiscale computational prediction of beta-sheet peptide self-assembly morphology 期刊论文
MOLECULAR SIMULATION, 2020, 页码: 暂无
Authors:  Deng, Li;  Wang, Yanting
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MOLECULAR-DYNAMICS METHOD  INTERMOLECULAR FORCES  PROTEIN AGGREGATION  NANOMECHANICS  POLYMORPHISM  SIMULATIONS  TRANSITIONS  NANOTUBES  FIBRILS  SOLVENT  
Real-time mass spectrometric characterization of the solid-electrolyte interphase of a lithium-ion battery 期刊论文
NATURE NANOTECHNOLOGY, 2020, 卷号: 15, 期号: 3, 页码: 224
Authors:  Zhou, Yufan;  Su, Mao;  Yu, Xiaofei;  Zhang, Yanyan;  Wang, Jun-Gang;  Ren, Xiaodi;  Cao, Ruiguo;  Xu, Wu;  Baer, Donald R.;  Du, Yingge;  Borodin, Oleg;  Wang, Yanting;  Wang, Xue-Lin;  Xu, Kang;  Xu, Zhijie;  Wang, Chongmin;  Zhu, Zihua
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FORCE-FIELD  DYNAMICS  LIQUID  METAL  INTERFACE  GRAPHITE  SURFACE  SIMULATIONS  EFFICIENCY  ENERGY  
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  
Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals 期刊论文
SCIENTIFIC REPORTS, 2019, 卷号: 9, 页码: 13169
Authors:  Li, Shen;  Wang, Yanting
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NANOSTRUCTURAL ORGANIZATION  SPATIAL HETEROGENEITY  DYNAMICS  
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  
Poisson-Boltzmann theory with non-linear ion correlations 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 35, 页码: 355101
Authors:  Su, M;  Xu, ZJ;  Wang, YT
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ELECTRIC-DOUBLE-LAYER  INTEGRAL-EQUATION  ELECTROLYTES  INVERSION  
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
Authors:  Li, S;  Saielli, G;  Wang, YT
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ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS  
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