scholarly journals Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme

2017 ◽  
Vol 13 (11) ◽  
pp. 5647-5657 ◽  
Author(s):  
Thomas Tarenzi ◽  
Vania Calandrini ◽  
Raffaello Potestio ◽  
Alejandro Giorgetti ◽  
Paolo Carloni
Keyword(s):  
Open Boundary ◽  
Adaptive Resolution ◽  
Hydration Shells ◽  
Resolution Scheme

A reference implementation of the adaptive resolution scheme in ESPResSo

2010 ◽  
Vol 181 (8) ◽  
pp. 1449-1454 ◽  
Author(s):  
Christoph Junghans ◽  
Simón Poblete
Keyword(s):  
Adaptive Resolution ◽  
Resolution Scheme ◽  
Reference Implementation

scholarly journals An Adaptive Resolution Scheme for Performance Enhancement of a Web-based Multi-User VR Application

2021 ◽  
Author(s):  
Rishabh Pathak ◽  
Anderson Augusto Simiscuka ◽  
Gabriel-Miro Muntean
Keyword(s):  
Performance Enhancement ◽  
Web Based ◽  
Adaptive Resolution ◽  
Resolution Scheme

scholarly journals Towards open boundary molecular dynamics simulation of ionic liquids

2017 ◽  
Vol 19 (6) ◽  
pp. 4701-4709 ◽  
Author(s):  
Christian Krekeler ◽  
Luigi Delle Site
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Open Boundary ◽  
Adaptive Resolution ◽  
Grand Canonical

We extend the use of the adaptive resolution (AdResS) method in its grand canonical-like version (GC-AdResS) to the molecular dynamics simulation of 1,3-dimethylimidazolium chloride.

scholarly journals Force probe simulations using an adaptive resolution scheme

2021 ◽  
Author(s):  
Marco Oestereich ◽  
J Gauss ◽  
Gregor Diezemann
Keyword(s):  
Adaptive Resolution ◽  
Resolution Scheme

scholarly journals Mesoscopic Adaptive Resolution Scheme toward Understanding of Interactions between Sickle Cell Fibers

2017 ◽  
Vol 113 (1) ◽  
pp. 48-59 ◽  
Author(s):  
Lu Lu ◽  
He Li ◽  
Xin Bian ◽  
Xuejin Li ◽  
George Em Karniadakis
Keyword(s):  
Sickle Cell ◽  
Adaptive Resolution ◽  
Resolution Scheme

scholarly journals Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations

2020 ◽  
Vol 152 (19) ◽  
pp. 194104
Author(s):  
Maziar Heidari ◽  
Kurt Kremer ◽  
Ramin Golestanian ◽  
Raffaello Potestio ◽  
Robinson Cortes-Huerto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Open Boundary ◽  
Adaptive Resolution ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Grand Canonical ◽  
Non Equilibrium

The Open Boundary of History and Fiction

2019 ◽  
Author(s):  
Suzanne Gearhart
Keyword(s):  
Open Boundary
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