Search Results

• A Continuum-Atomistic Multi-Timescale Algorithm for Micro/Nano Flows

  Jin Liu, Shiyi Chen, Xiaobo Nie & Mark O. Robbins

  2008-11-05

  37077 4427 Pages:1279-1291

• Decomposition of Molecular Motions into Translational, Rotational, and Intramolecular Parts by a Projection Operator Technique

  F. Y. Hansen & H. Taub

  2018-03-24

  37105 3928 Pages:231-246

• A Unified Gas-Kinetic Scheme for Continuum and Rarefied Flows III: Microflow Simulations

  Juan-Chen Huang, Kun Xu & Pubing Yu

  2013-11-05

  40588 4212 Pages:1147-1173

• Accelerated Molecular Statics Based on Atomic Inertia Effect

  Fei Shuang, Pan Xiao, Yilong Bai, Fujiu Ke

  2020-07-21

  47628 3188 Pages:1019-1037

• Molecular Hydrodynamics of the Moving Contact Line in Two-Phase Immiscible Flows

  Tiezheng Qian, Xiao-Ping Wang & Ping Sheng

  2018-03-22

  41092 4847 Pages:1-52 Open-access

• Automated Parallel and Body-Fitted Mesh Generation in Finite Element Simulation of Macromolecular Systems

  Yan Xie, Tiantian Liu, Bin Tu, Benzhuo Lu & Linbo Zhang

  2018-04-03

  40994 3310 Pages:582-602

• Simulation of Impurity Diffusion in a Strained Nanowire Using Off-Lattice KMC

  W. Guo, T. P. Schulze & W. E

  2007-02-01

  38648 4250 Pages:164-176

• An Algorithm for the Stochastic Simulation of Gene Expression and Heterogeneous Population Dynamics

  Daniel A. Charlebois, Jukka Intosalmi, Dawn Fraser & Mads Kærn

  2011-09-01

  38408 4318 Pages:89-112

• An Efficient Hybrid DSMC/MD Algorithm for Accurate Modeling of Micro Gas Flows

  Tengfei Liang & Wenjing Ye

  2014-01-05

  40541 4480 Pages:246-264

• Molecular Dynamics Simulation of Bombardment of Hydrogen Atoms on Graphite Surface

  A. Ito & H. Nakamura

  2008-09-05

  39054 3869 Pages:592-610

• Employing Per-Component Time Step in DSMC Simulations of Disparate Mass and Cross-Section Gas Mixtures

  Roman V. Maltsev

  2013-09-05

  39151 3880 Pages:703-721

• A Two-Fold Structural Classification Method for Determining the Accurate Ensemble of Protein Structures

  Pan Tan, Zuyue Fu, Loukas Petridis, Shuo Qian, Delin You, Dongqing Wei, Jinglai Li & Liang Hong

  2018-12-08

  48864 3467 Pages:1010-1023

• Computer Simulation of Two Component Dense Plasma by Molecular Dynamics Method

  Zh. A. Moldabekov & T. S. Ramazanov

  2020-07-31

  40716 3876 Pages:1159-1166

• Coarse-Grained Molecular Dynamics Simulation of DPPC Lipid Bilayers: Size Effect on Structural and Dynamic Properties

  Bei Li

  2018-08-21

  46480 3579 Pages:1476-1487

• Parallel Molecular Dynamics with Irregular Domain Decomposition

  Mauro Bisson, Massimo Bernaschi & Simone Melchionna

  2011-10-01

  39850 4085 Pages:1071-1088

• Deep Potential: A General Representation of a Many-Body Potential Energy Surface

  Jiequn Han, Linfeng Zhang, Roberto Car & Weinan E

  2018-08-21

  94494 6411 Pages:629-639 Open-access

• Measuring the Spontaneous Curvature of Bilayer Membranes by Molecular Dynamics Simulations

  Han Wang, Dan Hu & Pingwen Zhang

  2013-08-05

  43311 4323 Pages:1093-1106

• Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model

  Wei Song, Yuchun Lin, Andrij Baumketner, Shaozhong Deng, Wei Cai & Donald J. Jacobs

  2013-01-05

  41161 4360 Pages:129-149

• A Particle Fokker-Planck Algorithm with Multiscale Temporal Discretization for Rarefied and Continuum Gas Flows

  Fei Fei, Zhaohui Liu, Jun Zhang & Chuguang Zheng

  2018-04-09

  41967 3210 Pages:338-374

• The Modern Information Technologies and Visualization Methods for Analysis of Computer Simulation Results for Complex Plasma

  T. S. Ramazanov, S. K. Kodanova, M. K. Issanova, N. Kh. Bastykova & Zh. A. Moldabekov

  2020-07-31

  41165 3955 Pages:981-995

• MD Simulation of Structural and Mechanical Transformation of Single-Walled Carbon Nanotubes Under Pressure

  J. Zang, O. Aldás-Palacios & F. Liu

  2007-02-01

  38349 4207 Pages:451-465

• A Solution to a Single Molecular Experiment Problem

  Yanhui Liu, Hu Chen, Lin Hu, Zhong-Can Ou-Yang & Jie Yan

  2009-06-01

  39557 3927 Pages:577-585

• Variational Boundary Conditions for Molecular Dynamics Simulations of Solids at Low Temperature

  X. Li & W. E

  2018-03-22

  39627 4102 Pages:135-175

• Computational Software: Polymer Chain Generation for Coarse-Grained Models Using Radical-Like Polymerization

  Morgane Mahaud, Zengqiang Zhai, Michel Perez, Olivier Lame, Claudio Fusco, Laurent Chazeau, Ali Makke, Grégory Marque, Julien Morthomas

  2018-09-17

  51511 5096 Pages:885-898 Open-access

• An Implicit Discrete Unified Gas-Kinetic Scheme for Simulations of Steady Flow in All Flow Regimes

  Dongxin Pan, Chengwen Zhong & Congshan Zhuo

  2019-01-10

  47381 3827 Pages:1469-1495

• Dynamical Coupling Atomistic and Continuum Simulations

  Guowu Ren, Dier Zhang & Xin-Gao Gong

  2011-10-01

  38348 3869 Pages:1305-1314

• Computer Simulation of Helium Effects in Plutonium During the Aging Process of Self-Radiation Damage

  Bingyun Ao, Piheng Chen, Peng Shi, Xiaolin Wang, Wangyu Hu & Liang Wang

  2020-07-31

  39436 3851 Pages:1205-1225