Search Results

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

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

  2008-11-05

  37246 4484 pp. 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

  37278 4060 pp. 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

  DOI:10.4208/cicp.190912.080213a

  40772 4280 pp. 1147-1173

• Accelerated Molecular Statics Based on Atomic Inertia Effect

  Fei Shuang, Pan Xiao, Yilong Bai, Fujiu Ke

  2020-07-21

  DOI:10.4208/cicp.OA-2019-0157

  47842 3251 pp. 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

  DOI:10.4208/cicp.161114.021015a

  41144 3351 pp. 582-602

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

  Tiezheng Qian, Xiao-Ping Wang, Ping Sheng

  2018-03-22

  41258 4968 pp. 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 4363 pp. 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

  DOI:10.4208/cicp.280110.070510a

  38582 4439 pp. 89-112

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

  A. Ito, H. Nakamura

  2008-09-05

  39225 3933 pp. 592-610

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

  Tengfei Liang, Wenjing Ye

  2014-01-05

  DOI:10.4208/cicp.141112.160513a

  40716 4645 pp. 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

  DOI:10.4208/cicp.OA-2018-0140

  49046 3520 pp. 1010-1023

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

  Roman V. Maltsev

  2013-09-05

  DOI:10.4208/cicp.220612.071112a

  39296 3941 pp. 703-721

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

  Zh. A. Moldabekov, T. S. Ramazanov

  2020-07-31

  DOI:10.4208/cicp.140313.240513s

  40871 3919 pp. 1159-1166

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

  Bei Li

  2018-08-21

  DOI:10.4208/cicp.OA-2017-0056

  46684 3661 pp. 1476-1487

• Parallel Molecular Dynamics with Irregular Domain Decomposition

  Mauro Bisson, Massimo Bernaschi, Simone Melchionna

  2011-10-01

  DOI:10.4208/cicp.140810.021210a

  40007 4134 pp. 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

  DOI:10.4208/cicp.OA-2017-0213

  95388 6694 pp. 629-639 Open Access

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

  Han Wang, Dan Hu, Pingwen Zhang

  2013-08-05

  DOI:10.4208/cicp.230411.230312a

  43534 4390 pp. 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

  DOI:10.4208/cicp.290711.180711s

  41315 4496 pp. 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

  DOI:10.4208/cicp.OA-2016-0134

  42138 3284 pp. 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

  DOI:10.4208/cicp.140313.070613s

  41330 4025 pp. 981-995

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

  Fan Li, Zhi-Hui Li

  2026-05-01

  DOI:10.4208/cicp.OA-2024-0295

  222 42 pp. 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

  38495 4264 pp. 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

  39711 3994 pp. 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

  DOI:10.4208/cicp.OA-2017-0146

  51740 5344 pp. 885-898 Open Access

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

  Xiantao Li, E. Weinan

  2018-03-22

  39795 4286 pp. 135-175

• Dynamical Coupling Atomistic and Continuum Simulations

  Guowu Ren, Dier Zhang, Xin-Gao Gong

  2011-10-01

  DOI:10.4208/cicp.231110.080211a

  38504 3946 pp. 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

  DOI:10.4208/cicp.290610.210111s

  39582 3934 pp. 1205-1225