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  • Stick-Slip Motion of Moving Contact Line on Chemically Patterned Surfaces

    Congmin Wu, Siulong Lei, Tiezheng Qian, Xiaoping Wang
    2010-07-01
    DOI:10.4208/cicp.2009.09.042
    40418 4036 pp. 403-422
  • 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
  • Liquid Fuel Evaporation under Supercritical Conditions

    Guowei Xiao, Kai Hong Luo, Xiao Ma, Shijin Shuai
    2020-07-31
    DOI:10.4208/cicp.OA-2016-0252
    49520 3258 pp. 1241-1262
  • Investigating the Selectivity of KcsA Channel by an Image Charge Solvation Method (ICSM) in Molecular Dynamics Simulations

    Katherine Baker, Duan Chen, Wei Cai
    2018-04-04
    DOI:10.4208/cicp.130315.310815a
    40485 3362 pp. 927-943
  • Molecular Dynamics Simulation of Bombardment of Hydrogen Atoms on Graphite Surface

    A. Ito, H. Nakamura
    2008-09-05
    39225 3933 pp. 592-610
  • 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 Dynamical Concurrent Multiscale Method Employing a Transmitting Boundary to Minimize Wave Reflections at the Domain Interface

    Abhishek Vishwanath Rammohan, Vincent Beng Chye Tan
    2020-02-23
    DOI:10.4208/cicp.OA-2018-0037
    46520 3134 pp. 1115-1139
  • Extended BGK Boltzmann for Dense Gases

    Saikishan Suryanarayanan, Shiwani Singh, Santosh Ansumali
    2020-07-31
    DOI:10.4208/cicp.401011.220212s
    41190 4297 pp. 629-648
  • Quantum Chemical Calculations of Warfarin Sodium, Warfarin and Its Metabolites

    Emine Deniz (Calisir) Tekin, Figen Erkoc, Ilkay Yildiz, Sakir Erkoc
    2008-04-01
    38744 4736 pp. 161-176
  • 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
  • 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
  • Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations

    Sauro Succi, Silvia Palpacelli
    2020-07-21
    DOI:10.4208/cicp.141009.091110s
    39550 3695 pp. 1137-1151
  • Numerical Study of the Isotropic-Nematic Phase Transition in Liquid Crystals Using the String Method

    Yunzhi Li, Weiqing Ren
    2018-08-21
    DOI:10.4208/cicp.OA-2017-0100
    46285 3834 pp. 1534-1548
  • A Quadrature-Based Kinetic Model for Dilute Non-Isothermal Granular Flows

    Alberto Passalacqua, Janine E. Galvin, Prakash Vedula, Christine M. Hrenya, Rodney O. Fox
    2011-10-01
    DOI:10.4208/cicp.020210.160910a
    38903 4451 pp. 216-252
  • 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
  • A Consistency Study of Coarse-Grained Dynamical Chains through a Nonlinear Wave Equation of Mixed Type

    Mingjie Liao, Ping Lin
    2020-07-30
    DOI:10.4208/cicp.OA-2018-0206
    43540 3631 pp. 921-948
  • Adapted Nested Force-Gradient Integrators: The Schwinger Model Case

    Dmitry Shcherbakov, Matthias Ehrhardt, Jacob Finkenrath, Michael Guenther, Francesco Knechtli, Michael Peardon
    2018-04-09
    DOI:10.4208/cicp.OA-2016-0048
    43305 3205 pp. 1141-1153
  • Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

    Bo Zhang, Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, Nikos P. Pitsianis, Xiaobai Sun, J. Andrew McCammon
    2013-01-05
    DOI:10.4208/cicp.210711.111111s
    41138 4487 pp. 107-128
  • 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
  • DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi

    Lane W. Votapka, Luke Czapla, Maxim Zhenirovskyy, Rommie E. Amaro
    2013-01-05
    DOI:10.4208/cicp.170711.111111s
    41122 4503 pp. 256-268
  • Reconstruction of Dynamical Systems Without Time Label

    Zhijun Zeng, Chenglong Bao, Pipi Hu, Yi Zhu, Zuoqiang Shi
    2026-01-03
    DOI:10.4208/cicp.OA-2025-0042
    1943 111 pp. 941-968
  • 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
  • Heterogeneous Multiscale Methods: A Review

    Weinan E, Bjorn Engquist, Xiantao Li, Weiqing Ren, Eric Vanden-Eijnden
    2007-02-01
    47706 5513 pp. 367-450 Open Access
  • Towards Translational Invariance of Total Energy with Finite Element Methods for Kohn-Sham Equation

    Gang Bao, Guanghui Hu, Di Liu
    2018-04-03
    DOI:10.4208/cicp.190115.200715a
    41774 4779 pp. 1-23
  • 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
  • On Applicability of Poisson-Boltzmann Equation for Micro- and Nanoscale Electroosmotic Flows

    Moran Wang, Shiyi Chen
    2008-03-01
    40170 4215 pp. 1087-1099
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