Search Results

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

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

  2008-11-05

  37244 4484 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

  37277 4060 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

  40769 4279 Pages:1147-1173

• Accelerated Molecular Statics Based on Atomic Inertia Effect

  Fei Shuang, Pan Xiao, Yilong Bai, Fujiu Ke

  2020-07-21

  47842 3251 Pages:1019-1037

• 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

  41144 3351 Pages:582-602

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

  Tiezheng Qian, Xiao-Ping Wang, Ping Sheng

  2018-03-22

  41256 4967 Pages:1-52 Open-access

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

  Weidong Guo, Tim P. Schulze, E. Weinan

  2007-02-01

  38790 4361 Pages:164-176

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

  Daniel A. Charlebois, Jukka Intosalmi, Dawn Fraser, Mads Kaern

  2011-09-01

  38581 4439 Pages:89-112

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

  A. Ito, H. Nakamura

  2008-09-05

  39225 3933 Pages:592-610

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

  Tengfei Liang, Wenjing Ye

  2014-01-05

  40716 4644 Pages:246-264

• 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

  49044 3520 Pages:1010-1023

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

  Roman V. Maltsev

  2013-09-05

  39295 3941 Pages:703-721

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

  Zh. A. Moldabekov, T. S. Ramazanov

  2020-07-31

  40871 3919 Pages:1159-1166

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

  Bei Li

  2018-08-21

  46684 3661 Pages:1476-1487

• Parallel Molecular Dynamics with Irregular Domain Decomposition

  Mauro Bisson, Massimo Bernaschi, Simone Melchionna

  2011-10-01

  40007 4134 Pages:1071-1088

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

  Jiequn Han, Linfeng Zhang, Roberto Car, E. Weinan

  2018-08-21

  95385 6694 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

  43534 4389 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

  41315 4495 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

  42137 3284 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

  41330 4025 Pages:981-995

• Gas-Kinetic Unified Algorithm for Multi-Component Monatomic Gas Mixture

  Fan Li, Zhi-Hui Li

  2026-05-01

  185 41 Pages:1454-1478

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

  Ji Zang, Oswaldo Aldas-Palacios, Feng Liu

  2007-02-01

  38493 4264 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

  39709 3994 Pages:577-585

• 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

  51740 5344 Pages:885-898 Open-access

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

  Xiantao Li, E. Weinan

  2018-03-22

  39794 4286 Pages:135-175

• Dynamical Coupling Atomistic and Continuum Simulations

  Guowu Ren, Dier Zhang, Xin-Gao Gong

  2011-10-01

  38503 3946 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

  39582 3932 Pages:1205-1225