Linking hydrophobicity and hydrodynamics by the hybrid fluctuating hydrodynamics and molecular dynamics methodologies

Hybrid method coupling fluctuating hydrodynamics and molecular dynamics for the simulation of macromolecules

10.1063/1.2720385 ◽

2007 ◽

Vol 126 (15) ◽

pp. 154903 ◽

Cited By ~ 37

Author(s):

G. Giupponi ◽

G. De Fabritiis ◽

Peter V. Coveney

Keyword(s):

Molecular Dynamics ◽

Hybrid Method ◽

Fluctuating Hydrodynamics

A Thermostat‐Consistent Fully Coupled Molecular Dynamics—Generalized Fluctuating Hydrodynamics Model

Advanced Theory and Simulations ◽

10.1002/adts.202000209 ◽

2020 ◽

pp. 2000209

Author(s):

Xinjian Liu ◽

Ivan Korotkin ◽

Zhonghao Rao ◽

Sergey Karabasov

Keyword(s):

Molecular Dynamics ◽

Fully Coupled

Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids

10.1063/1.3106717 ◽

2009 ◽

Vol 130 (13) ◽

pp. 134111 ◽

Cited By ~ 43

Author(s):

Nikolaos K. Voulgarakis ◽

Jhih-Wei Chu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

Embedding molecular dynamics within fluctuating hydrodynamics in multiscale simulations of liquids

Physical Review E ◽

10.1103/physreve.76.036709 ◽

2007 ◽

Vol 76 (3) ◽

Cited By ~ 48

Author(s):

R. Delgado-Buscalioni ◽

G. De Fabritiis

Keyword(s):

Molecular Dynamics ◽

Multiscale Simulations

Modeling the nanoscale viscoelasticity of fluids by bridging non-Markovian fluctuating hydrodynamics and molecular dynamics simulations

10.1063/1.3273210 ◽

2009 ◽

Vol 131 (23) ◽

pp. 234115 ◽

Cited By ~ 19

Author(s):

Nikolaos K. Voulgarakis ◽

Siddarth Satish ◽

Jhih-Wei Chu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

A Thermostat‐Consistent Fully Coupled Molecular Dynamics–Generalized Fluctuating Hydrodynamics Model for Non‐Equilibrium Flows

Advanced Theory and Simulations ◽

10.1002/adts.202100360 ◽

2021 ◽

pp. 2100360

Author(s):

Xinjian Liu ◽

Ivan Korotkin ◽

Zhonghao Rao ◽

Sergey Karabasov

Keyword(s):

Molecular Dynamics ◽

Fully Coupled ◽

Non Equilibrium

Fluctuating hydrodynamics for multiscale simulation of inhomogeneous fluids: Mapping all-atom molecular dynamics to capillary waves

10.1063/1.3615719 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044111 ◽

Cited By ~ 24

Author(s):

Barry Z. Shang ◽

Nikolaos K. Voulgarakis ◽

Jhih-Wei Chu

Keyword(s):

Molecular Dynamics ◽

Multiscale Simulation ◽

Capillary Waves ◽

Inhomogeneous Fluids

A hybrid molecular dynamics/fluctuating hydrodynamics method for modelling liquids at multiple scales in space and time

10.1063/1.4923011 ◽

2015 ◽

Vol 143 (1) ◽

pp. 014110 ◽

Cited By ~ 12

Author(s):

Ivan Korotkin ◽

Sergey Karabasov ◽

Dmitry Nerukh ◽

Anton Markesteijn ◽

Arturs Scukins ◽

...

Keyword(s):

Molecular Dynamics ◽

Multiple Scales ◽

Space And Time

Nonequilibrium Molecular Dynamics

10.1017/9781139017848 ◽

2017 ◽

Cited By ~ 25

Author(s):

Billy D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations