scholarly journals Multiscale simulations of anisotropic particles combining molecular dynamics and Green’s function reaction dynamics

2017 ◽  
Vol 146 (11) ◽  
pp. 114106 ◽  
Author(s):  
Adithya Vijaykumar ◽  
Thomas E. Ouldridge ◽  
Pieter Rein ten Wolde ◽  
Peter G. Bolhuis
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Green's Function ◽  
Reaction Dynamics ◽  
Multiscale Simulations ◽  
Anisotropic Particles

Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations

2015 ◽  
Vol 143 (21) ◽  
pp. 214102 ◽  
Author(s):  
Adithya Vijaykumar ◽  
Peter G. Bolhuis ◽  
Pieter Rein ten Wolde
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Green's Function ◽  
Reaction Dynamics ◽  
Dynamics Simulations

Elucidating the contact mechanics of aluminum silicon surfaces with Green's function molecular dynamics

2007 ◽  
Vol 102 (11) ◽  
pp. 113511 ◽  
Author(s):  
Carlos Campañá ◽  
Martin H. Müser ◽  
Colin Denniston ◽  
Yue Qi ◽  
Thomas A. Perry
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Contact Mechanics ◽  
Green's Function ◽  
Silicon Surfaces ◽  
Aluminum Silicon

Implementation of Green's function molecular dynamics: An extension to LAMMPS

2009 ◽  
Vol 180 (6) ◽  
pp. 1004-1010 ◽  
Author(s):  
Ling Ti Kong ◽  
Guido Bartels ◽  
Carlos Campañá ◽  
Colin Denniston ◽  
Martin H. Müser
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Green's Function

An improved version of the Green's function molecular dynamics method

2011 ◽  
Vol 182 (2) ◽  
pp. 540-541 ◽  
Author(s):  
Ling Ti Kong ◽  
Colin Denniston ◽  
Martin H. Müser
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Green's Function ◽  
Molecular Dynamics Method ◽  
Dynamics Method
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