Accelerated molecular dynamics simulation of vacancy diffusion in substitutional alloy with collective variable-driven hyperdynamics

Collective Variable ◽

Dynamics Simulation ◽

Vacancy Diffusion ◽

Substitutional Alloy ◽

Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics

Computational Materials Science ◽

10.1016/j.commatsci.2020.109581 ◽

2020 ◽

Vol 177 ◽

pp. 109581

Author(s):

Satoru Fukuhara ◽

Kristof M. Bal ◽

Erik C. Neyts ◽

Yasushi Shibuta

Keyword(s):

Molecular Dynamics ◽

Collective Variable ◽

Dynamics Simulation ◽

Large Systems

Accelerated molecular dynamics simulation using multi-core CPU and GPU

Journal of Computer Applications ◽

10.3724/sp.j.1087.2011.00843 ◽

2011 ◽

Vol 31 (3) ◽

pp. 843-847

Author(s):

Jiang-hong LIN ◽

Jin-xian LIN ◽

Tun LU

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

PLoS ONE ◽

10.1371/journal.pone.0151704 ◽

2016 ◽

Vol 11 (3) ◽

pp. e0151704 ◽

Cited By ~ 5

Author(s):

Wenduo Chen ◽

Youliang Zhu ◽

Fengchao Cui ◽

Lunyang Liu ◽

Zhaoyan Sun ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Liquid Crystal ◽

Dynamics Simulation ◽

Coarse Grained ◽

Liquid Crystal Phase ◽

Crystal Phase Transition ◽

Liquid Crystal Phase Transition

Accelerated molecular dynamics simulation of the thermal desorption of n-alkanes from the basal plane of graphite

The Journal of Chemical Physics ◽

10.1063/1.2364894 ◽

2006 ◽

Vol 125 (18) ◽

pp. 184706 ◽

Cited By ~ 38

Author(s):

Kelly E. Becker ◽

Kristen A. Fichthorn

Keyword(s):

Molecular Dynamics ◽

Thermal Desorption ◽

Basal Plane ◽

Dynamics Simulation ◽

Temperature-accelerated molecular dynamics simulation of the evolution of a low-energy incident Cu3 cluster on the Cu(100) surface with a monoatomic step

Journal of Surface Investigation X-ray Synchrotron and Neutron Techniques ◽

10.1134/s1027451016030216 ◽

2016 ◽

Vol 10 (3) ◽

pp. 570-575 ◽

Cited By ~ 2

Author(s):

E. V. Duda ◽

G. V. Kornich

Keyword(s):

Molecular Dynamics ◽

Low Energy ◽

Dynamics Simulation ◽

Energy Incident

3P243 Analysis of the photoresponse mechanism of the LOV-HTH system using accelerated molecular dynamics simulation(Photobiology: Vision & Photoreception,Poster,The 52th Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s289_3 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S289

Author(s):

Kokubu Tetsuo ◽

Furuta Tadaomi ◽

Sakurai Minoru

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Dynamics Simulation ◽

Biophysical Society

Springer Proceedings in Physics - Computer Simulation Studies in Condensed-Matter Physics XIX ◽

Accelerated Molecular-Dynamics Simulation of Thin Film Growth

10.1007/978-3-540-85625-2_2 ◽

2008 ◽

pp. 7-16 ◽

Cited By ~ 2

Author(s):

K. A. Fichthorn ◽

R. A. Miron

Keyword(s):

Thin Film ◽

Molecular Dynamics ◽

Film Growth ◽

Thin Film Growth ◽

Dynamics Simulation ◽

How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation

ACS Chemical Neuroscience ◽

10.1021/acschemneuro.8b00535 ◽

2018 ◽

Vol 10 (3) ◽

pp. 1575-1584 ◽

Cited By ~ 3

Author(s):

Xiaoli An ◽

Qifeng Bai ◽

Zhitong Bing ◽

Shuangyan Zhou ◽

Danfeng Shi ◽

...

Keyword(s):

Molecular Dynamics ◽

Opioid Receptor ◽

Dynamics Simulation ◽

Conformational Ensemble ◽

Long Time ◽

Agonist And Antagonist ◽

Antagonist Binding

Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2021.107540 ◽

2021 ◽

pp. 107540

Author(s):

Nadiyah Al-Shammari ◽

Loizos Savva ◽

Oliver Kennedy-Britten ◽

James A. Platts

Keyword(s):

Molecular Dynamics ◽

Amyloid Β ◽

Dynamics Simulation ◽

N Terminus

GPU accelerated molecular dynamics simulation of thermal conductivities

Journal of Computational Physics ◽

10.1016/j.jcp.2006.06.039 ◽

2007 ◽

Vol 221 (2) ◽

pp. 799-804 ◽

Cited By ~ 85

Author(s):

Juekuan Yang ◽

Yujuan Wang ◽

Yunfei Chen

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Thermal Conductivities