Search Results

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

  Congmin Wu, Siulong Lei, Tiezheng Qian & Xiaoping Wang

  2010-07-01

  40319 4000 Pages: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

  51607 5207 Pages:885-898 Open-access

• Liquid Fuel Evaporation under Supercritical Conditions

  Guowei Xiao, Kai Hong Luo, Xiao Ma & Shijin Shuai

  2020-07-31

  49426 3222 Pages: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

  40421 3315 Pages:927-943

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

  A. Ito & H. Nakamura

  2008-09-05

  39117 3893 Pages: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

  41216 4405 Pages: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

  46435 3102 Pages:1115-1139

• Extended BGK Boltzmann for Dense Gases

  Saikishan Suryanarayanan, Shiwani Singh & Santosh Ansumali

  2020-07-31

  41094 4260 Pages:629-648

• Quantum Chemical Calculations of Warfarin Sodium, Warfarin and Its Metabolites

  Emine Deniz (Çalisir) Tekin, Figen Erkoç, Ilkay Yildiz & Sakir Erkoç

  2008-04-01

  38672 4670 Pages:161-176

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

  Zh. A. Moldabekov & T. S. Ramazanov

  2020-07-31

  40780 3892 Pages:1159-1166

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

  Tengfei Liang & Wenjing Ye

  2014-01-05

  40606 4544 Pages:246-264

• Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations

  Sauro Succi & Silvia Palpacelli

  2020-07-21

  39467 3669 Pages:1137-1151

• Numerical Study of the Isotropic-Nematic Phase Transition in Liquid Crystals Using the String Method

  Yunzhi Li & Weiqing Ren

  2018-08-21

  46178 3771 Pages: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

  38832 4387 Pages:216-252

• Dynamical Coupling Atomistic and Continuum Simulations

  Guowu Ren, Dier Zhang & Xin-Gao Gong

  2011-10-01

  38415 3900 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

  39491 3883 Pages:1205-1225

• Adapted Nested Force-Gradient Integrators: The Schwinger Model Case

  Dmitry Shcherbakov, Matthias Ehrhardt, Jacob Finkenrath, Michael Günther, Francesco Knechtli & Michael Peardon

  2018-04-09

  43219 3180 Pages: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

  41033 4410 Pages: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

  41234 3974 Pages:981-995

• DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi

  Lane W. Votapka, Luke Czapla, Maxim Zhenirovskyy & Rommie E. Amaro

  2013-01-05

  41030 4423 Pages:256-268

• Heterogeneous Multiscale Methods: A Review

  W. E, B. Engquist, X. Li, W. Ren & E. Vanden-Eijnden

  2007-02-01

  47574 5430 Pages: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

  41690 4698 Pages:1-23

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

  J. Zang, O. Aldás-Palacios & F. Liu

  2007-02-01

  38410 4234 Pages:451-465

• On Applicability of Poisson-Boltzmann Equation for Micro- and Nanoscale Electroosmotic Flows

  Moran Wang & Shiyi Chen

  2008-03-01

  40083 4183 Pages:1087-1099

• A Second-Order Langevin Sampler Preserving Positive Volume for Isothermal–Isobaric Ensemble

  Lei Li, Yuzhou Peng

  2025-08-23

  6484 463 Pages:630-660

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

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

  2007-02-01

  38711 4297 Pages:164-176

• Examining Saddle Point Searches in the Context of Off-Lattice Kinetic Monte Carlo

  Jonathan Hicks, Timothy P. Schulze

  2021-07-01

  47809 3160 Pages:749-770