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 ◽

Author(s):

Kelly E. Becker ◽

Kristen A. Fichthorn

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermal Desorption ◽

Basal Plane ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics

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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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics

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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 ◽

Author(s):

Wenduo Chen ◽

Youliang Zhu ◽

Fengchao Cui ◽

Lunyang Liu ◽

Zhaoyan Sun ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Coarse Grained ◽

Liquid Crystal Phase ◽

Accelerated Molecular Dynamics ◽

Crystal Phase Transition ◽

Liquid Crystal Phase Transition

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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 ◽

Author(s):

E. V. Duda ◽

G. V. Kornich

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics ◽

Energy Incident

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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 ◽

Molecular Dynamics Simulation ◽

Annual Meeting ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics ◽

Biophysical Society

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Accelerated Molecular-Dynamics Simulation of Thin Film Growth

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

10.1007/978-3-540-85625-2_2 ◽

2008 ◽

pp. 7-16 ◽

Author(s):

K. A. Fichthorn ◽

R. A. Miron

Keyword(s):

Thin Film ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Film Growth ◽

Thin Film Growth ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics

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Insight into the nanomechanical properties under indentation of β-Si3N4nano-thin layers in the basal plane using molecular dynamics simulation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02449d ◽

2014 ◽

Vol 16 (35) ◽

pp. 18858 ◽

Author(s):

Xuefeng Lu ◽

Xin Guo ◽

Peiqing La ◽

Yupeng Wei ◽

Xueli Nan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Basal Plane ◽

Thin Layers ◽

Dynamics Simulation ◽

Nanomechanical Properties ◽

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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 ◽

Author(s):

Xiaoli An ◽

Qifeng Bai ◽

Zhitong Bing ◽

Shuangyan Zhou ◽

Danfeng Shi ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Opioid Receptor ◽

Dynamics Simulation ◽

Conformational Ensemble ◽

Accelerated Molecular Dynamics ◽

Long Time ◽

Agonist And Antagonist ◽

Antagonist Binding

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Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane

Journal of Molecular Liquids ◽

10.1016/s0167-7322(03)00274-5 ◽

2004 ◽

Author(s):

T Bryk

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Charge Separation ◽

Basal Plane ◽

Dynamics Simulation ◽

Water Interface ◽

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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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics ◽

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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 ◽

Author(s):

Juekuan Yang ◽

Yujuan Wang ◽

Yunfei Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Accelerated Molecular Dynamics ◽

Thermal Conductivities

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