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Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
Authors:  Shao, Ming-Zhe;  Wang, Yan-Ting;  Zhou, Xin
Adobe PDF(1998Kb)  |  Favorite  |  View/Download：31/0  |  Submit date：2020/11/26
MOLECULAR-DYNAMICS SIMULATION  POTENTIAL MODEL  WATER  ICE  CRYSTALLIZATION  INTERFACE  
A brief review of continuous models for ionic solutions: the Poisson-Boltzmann and related theories 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2020, 卷号: 72, 期号: 6, 页码: UNSP 067601
Authors:  Su, Mao;  Wang, Yanting
Adobe PDF(546Kb)  |  Favorite  |  View/Download：41/0  |  Submit date：2020/06/16
ELECTRIC-DOUBLE-LAYER  EXCLUSION-VOLUME TERM  FIELD-THEORY  PAIR THEORY  ELECTROLYTE  CHARGE  ELECTROSTATICS  ATTRACTION  INVERSION  EQUATION  
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  
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
Adobe PDF(4363Kb)  |  Favorite  |  View/Download：104/1  |  Submit date：2019/07/19
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
Adobe PDF(1125Kb)  |  Favorite  |  View/Download：111/1  |  Submit date：2019/07/19
ELECTRIC-DOUBLE-LAYER  INTEGRAL-EQUATION  ELECTROLYTES  INVERSION  
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
Adobe PDF(3802Kb)  |  Favorite  |  View/Download：125/0  |  Submit date：2018/12/27
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
Adobe PDF(516Kb)  |  Favorite  |  View/Download：91/0  |  Submit date：2019/07/24
MOLECULAR-DYNAMICS  
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
Adobe PDF(2420Kb)  |  Favorite  |  View/Download：109/1  |  Submit date：2018/12/27
ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS  
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 页码: 136-151
Authors:  Zhang, CX;  Mortuza, SM;  He, BJ;  Wang, YT;  Zhang, Y
Adobe PDF(2416Kb)  |  Favorite  |  View/Download：96/0  |  Submit date：2018/12/27
PROTEIN-STRUCTURE PREDICTION  RESIDUE CONTACTS  SEQUENCE  ALIGNMENTS  ACCURACY  NETWORKS  ROLL  
Atomic origins of water-vapour-promoted alloy oxidation 期刊论文
NATURE MATERIALS, 2018, 卷号: 17, 期号: 6, 页码: 514
Authors:  Luo, LL;  Su, M;  Yan, PF;  Zou, LF;  Schreiber, DK;  Baer, DR;  Zhu, ZH;  Zhou, GW;  Wang, YT;  Bruemmer, SM;  Xu, ZJ;  Wang, CM
Adobe PDF(2366Kb)  |  Favorite  |  View/Download：118/0  |  Submit date：2018/12/27
TRANSMISSION ELECTRON-MICROSCOPY  OXIDE-GROWTH  DYNAMICS  VISUALIZATION  ADHERENCE  SCALES  CR  ATMOSPHERES  INTERFACE  CATALYSIS