Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation

Niall J. English; Marco Lauricella; Simone Meloni

doi:10.1063/1.4879777

Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation

The Journal of Chemical Physics ◽

10.1063/1.4879777 ◽

2014 ◽

Vol 140 (20) ◽

pp. 204714 ◽

Cited By ~ 45

Author(s):

Niall J. English ◽

Marco Lauricella ◽

Simone Meloni

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Heterogeneous Nucleation ◽

Clathrate Hydrate ◽

Dynamics Simulation ◽

Massively Parallel ◽

Parallel Molecular Dynamics

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Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation

Competence in High Performance Computing 2010 ◽

10.1007/978-3-642-24025-6_7 ◽

2011 ◽

pp. 73-84

Author(s):

M. T. Horsch ◽

S. K. Miroshnichenko ◽

J. Vrabec ◽

C. W. Glass ◽

C. Niethammer ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamic Properties ◽

Dynamics Simulation ◽

Massively Parallel ◽

Liquid Interfaces ◽

Parallel Molecular Dynamics

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Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

International Journal of Molecular Sciences ◽

10.3390/ijms10031013 ◽

2009 ◽

Vol 10 (3) ◽

pp. 1013-1030 ◽

Cited By ~ 6

Author(s):

Vincent Voelz ◽

Edgar Luttmann ◽

Gregory Bowman ◽

Vijay Pande

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Massively Parallel ◽

Beta Sheet ◽

Parallel Molecular Dynamics ◽

Nanosecond Dynamics

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Massively parallel molecular-dynamics simulation of ice crystallisation and melting: The roles of system size, ensemble, and electrostatics

The Journal of Chemical Physics ◽

10.1063/1.4903786 ◽

2014 ◽

Vol 141 (23) ◽

pp. 234501 ◽

Cited By ~ 19

Author(s):

Niall J. English

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

System Size ◽

Dynamics Simulation ◽

Massively Parallel ◽

Parallel Molecular Dynamics

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Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms

Energies ◽

10.3390/en6063072 ◽

2013 ◽

Vol 6 (6) ◽

pp. 3072-3081 ◽

Cited By ~ 10

Author(s):

Niall English

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Clathrate Hydrates ◽

Dynamics Simulation ◽

Massively Parallel ◽

Parallel Molecular Dynamics ◽

Blue Gene

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Massively parallel molecular dynamics simulation of gas permeation across porous silica membranes

Journal of Membrane Science ◽

10.1016/s0376-7388(98)00283-x ◽

1999 ◽

Vol 155 (1) ◽

pp. 1-7 ◽

Cited By ~ 59

Author(s):

Phillip I. Pohl ◽

Grant S. Heffelfinger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Porous Silica ◽

Gas Permeation ◽

Dynamics Simulation ◽

Massively Parallel ◽

Silica Membranes ◽

Parallel Molecular Dynamics

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Massively parallel molecular dynamics simulation of formation of ice-crystallite precursors in supercooled water: Incipient-nucleation behavior and role of system size

Physical Review E ◽

10.1103/physreve.92.032132 ◽

2015 ◽

Vol 92 (3) ◽

Cited By ~ 11

Author(s):

Niall J. English ◽

John S. Tse

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercooled Water ◽

System Size ◽

Dynamics Simulation ◽

Massively Parallel ◽

Nucleation Behavior ◽

Parallel Molecular Dynamics

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Molecular dynamics simulation of athermal heterogeneous nucleation of solidification

Computational Materials Science ◽

10.1016/j.commatsci.2019.03.061 ◽

2019 ◽

Vol 164 ◽

pp. 74-81 ◽

Cited By ~ 6

Author(s):

Takuya Fujinaga ◽

Yasushi Shibuta

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Heterogeneous Nucleation ◽

Dynamics Simulation

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Parallel molecular dynamics simulation of commercial surfactants

High-Performance Computing and Networking - Lecture Notes in Computer Science ◽

10.1007/bfb0020376 ◽

2005 ◽

pp. 223-225

Author(s):

Eamonn O'Toole ◽

Mike Surridge ◽

Colin Upstill

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Parallel Molecular Dynamics

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A simple dynamic load-balancing scheme for parallel molecular dynamics simulation on distributed memory machines

High-Performance Computing and Networking - Lecture Notes in Computer Science ◽

10.1007/bfb0100587 ◽

1999 ◽

pp. 260-269 ◽

Cited By ~ 1

Author(s):

Naohito Sato ◽

Jean-Marc Jézéquel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Load Balancing ◽

Dynamic Load ◽

Distributed Memory ◽

Dynamic Load Balancing ◽

Dynamics Simulation ◽

Distributed Memory Machines ◽

Parallel Molecular Dynamics

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Heterogeneous nucleation of argon vapor on the nanostructure surface with molecular dynamics simulation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107674 ◽

2020 ◽

Vol 100 ◽

pp. 107674

Author(s):

Qin Wang ◽

Hui Xie ◽

Jian Liu ◽

Chao Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Heterogeneous Nucleation ◽

Dynamics Simulation ◽

Nanostructure Surface

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