ITP OpenIR

Browse/Search Results:  1-10 of 44 Help

Selected(0)Clear Items/Page:    Sort:
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
Favorite  |  View/Download:31/0  |  Submit date:2020/06/16
FORCE-FIELD  DYNAMICS  LIQUID  METAL  INTERFACE  GRAPHITE  SURFACE  SIMULATIONS  EFFICIENCY  ENERGY  
Multiscale computational prediction of beta-sheet peptide self-assembly morphology 期刊论文
MOLECULAR SIMULATION, 2020
Authors:  Deng, Li;  Wang, Yanting
Favorite  |  View/Download:31/0  |  Submit date:2020/06/16
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:94/1  |  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:99/1  |  Submit date:2019/07/19
ELECTRIC-DOUBLE-LAYER  INTEGRAL-EQUATION  ELECTROLYTES  INVERSION  
Defect Removal by Solvent Vapor Annealing in Thin Films of Lamellar Diblock Copolymers 期刊论文
MACROMOLECULES, 2019, 卷号: 52, 期号: 23, 页码: 9321-9333
Authors:  Xu, Xinpeng;  Man, Xingkun;  Doi, Masao;  Ou-Yang, Zhong-can;  Andelman, David
Favorite  |  View/Download:27/0  |  Submit date:2020/06/16
BLOCK POLYMER-SOLUTIONS  PHASE-SEPARATION  DILUTION APPROXIMATION  ORDERED STRUCTURE  ANNIHILATION  ORIENTATION  EVAPORATION  SIMULATION  DYNAMICS  KINETICS  
Defect Removal by Solvent Vapor Annealing in Thin Films of Lamellar Diblock Copolymers 期刊论文
MACROMOLECULES, 2019, 卷号: 52, 期号: 23, 页码: 9321-9333
Authors:  Xu, Xinpeng;  Man, Xingkun;  Doi, Masao;  Ou-Yang, Zhong-can;  Andelman, David
Favorite  |  View/Download:1/0  |  Submit date:2020/11/26
BLOCK POLYMER-SOLUTIONS  PHASE-SEPARATION  DILUTION APPROXIMATION  ORDERED STRUCTURE  ANNIHILATION  ORIENTATION  EVAPORATION  SIMULATION  DYNAMICS  KINETICS  
Comparing NMR and X-ray protein structure: Lindemann-like parameters and NMR disorder 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2018, 卷号: 36, 期号: 9, 页码: 2331-2341
Authors:  Faraggi, E;  Dunker, AK;  Sussman, JL;  Kloczkowski, A
Adobe PDF(703Kb)  |  Favorite  |  View/Download:84/0  |  Submit date:2018/12/27
BACKBONE TORSION ANGLES  MAJOR URINARY PROTEIN  INTRINSIC DISORDER  STRUCTURE PREDICTION  SECONDARY STRUCTURE  CRYSTAL-STRUCTURE  DYNAMICS  DIFFRACTION  CRYSTALLOGRAPHY  RECOGNITION  
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:98/1  |  Submit date:2018/12/27
ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS  
Reoptimized UNRES Potential for Protein Model Quality Assessment 期刊论文
GENES, 2018, 卷号: 9, 期号: 12, 页码: 601
Authors:  Faraggi, E;  Krupa, P;  Mozolewska, MA;  Liwo, A;  Kloczkowski, A
Adobe PDF(1129Kb)  |  Favorite  |  View/Download:62/0  |  Submit date:2019/07/19
RESIDUE FORCE-FIELD  KNOWLEDGE-BASED POTENTIALS  ACCESSIBLE SURFACE-AREA  STRUCTURE PREDICTION  MOLECULAR-DYNAMICS  STATISTICAL POTENTIALS  STRUCTURE SIMULATIONS  POLYPEPTIDE-CHAINS  SCORING FUNCTION  WEB SERVER  
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:72/0  |  Submit date:2019/07/24
MOLECULAR-DYNAMICS