Parallel short range molecular dynamics simulations on computer clusters: Performance evaluation and modeling

Short Range ◽

Computer Clusters ◽

Efficient parallelization of short-range molecular dynamics simulations on many-core systems

Physical Review E ◽

10.1103/physreve.88.053309 ◽

2013 ◽

Vol 88 (5) ◽

Cited By ~ 10

Author(s):

R. Meyer

Keyword(s):

Molecular Dynamics ◽

Short Range ◽

Dynamics Simulations ◽

Many Core ◽

Efficient Parallelization

Early Performance Evaluation of the Hybrid Cluster with Torus Interconnect Aimed at Molecular-Dynamics Simulations

Parallel Processing and Applied Mathematics - Lecture Notes in Computer Science ◽

10.1007/978-3-319-78024-5_29 ◽

2018 ◽

pp. 327-336 ◽

Cited By ~ 5

Author(s):

Vladimir Stegailov ◽

Alexander Agarkov ◽

Sergey Biryukov ◽

Timur Ismagilov ◽

Mikhail Khalilov ◽

...

Keyword(s):

Molecular Dynamics ◽

Performance Evaluation ◽

Hybrid Cluster ◽

Early Performance ◽

Interfacial and coexistence properties of soft spheres with a short-range attractive Yukawa fluid: Molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.3703507 ◽

2012 ◽

Vol 136 (15) ◽

pp. 154702 ◽

Cited By ~ 6

Author(s):

Minerva González-Melchor ◽

Gregorio Hernández-Cocoletzi ◽

Jorge López-Lemus ◽

Alejandro Ortega-Rodríguez ◽

Pedro Orea

Keyword(s):

Molecular Dynamics ◽

Short Range ◽

Soft Spheres ◽

Yukawa Fluid ◽

Explicit design of FPGA-based coprocessors for short-range force computations in molecular dynamics simulations

Parallel Computing ◽

10.1016/j.parco.2008.01.007 ◽

2008 ◽

Vol 34 (4-5) ◽

pp. 261-277 ◽

Cited By ~ 22

Author(s):

Yongfeng Gu ◽

Tom VanCourt ◽

Martin C. Herbordt

Keyword(s):

Molecular Dynamics ◽

Short Range ◽

Short Range Force ◽

Dynamics Simulations ◽

Range Force

Coarse-Grained Molecular Dynamics Simulations for Understanding the Impact of Short-Range Anisotropic Attractions on Structure and Viscosity of Concentrated Monoclonal Antibody Solutions

Molecular Pharmaceutics ◽

10.1021/acs.molpharmaceut.9b00960 ◽

2020 ◽

Vol 17 (5) ◽

pp. 1748-1756 ◽

Cited By ~ 1

Author(s):

Amjad Chowdhury ◽

Jonathan A. Bollinger ◽

Barton J. Dear ◽

Jason K. Cheung ◽

Keith P. Johnston ◽

...

Keyword(s):

Molecular Dynamics ◽

Monoclonal Antibody ◽

Short Range ◽

Coarse Grained ◽

Dynamics Simulations ◽

The Impact ◽

Coarse Grained Molecular Dynamics

Molecular Dynamics Simulations of Multilayer Polyelectrolyte Films: Effect of Electrostatic and Short-Range Interactions

Langmuir ◽

10.1021/la061658e ◽

2006 ◽

Vol 22 (24) ◽

pp. 9994-10002 ◽

Cited By ~ 42

Author(s):

Pritesh A. Patel ◽

Junhwan Jeon ◽

Patrick T. Mather ◽

Andrey V. Dobrynin

Keyword(s):

Molecular Dynamics ◽

Short Range ◽

Effects of short-range attraction in unstable metal (110) epitaxial growth: Molecular dynamics simulations for Cu, Ag, and Al

Physical Review B ◽

10.1103/physrevb.74.155403 ◽

2006 ◽

Vol 74 (15) ◽

Cited By ~ 3

Author(s):

Jianguo Yu ◽

Jacques G. Amar

Keyword(s):

Molecular Dynamics ◽

Epitaxial Growth ◽

Short Range ◽

Short-Range Structure of Yttrium Alumino-Silicate Glass for Cancer Radiotherapy: Car-Parrinello Molecular Dynamics Simulations

Advanced Engineering Materials ◽

10.1002/adem.200980081 ◽

2010 ◽

Vol 12 (7) ◽

pp. B326-B330 ◽

Cited By ~ 21

Author(s):

Jamieson K. Christie ◽

Antonio Tilocca

Keyword(s):

Molecular Dynamics ◽

Silicate Glass ◽

Short Range ◽

Cancer Radiotherapy ◽

Alumino Silicate ◽

Dynamics Simulations ◽

Short Range Structure

Short-Range Order in Liquid Aluminum Chloride: Ab Initio Molecular Dynamics Simulations and Quantum-Chemical Calculations

The Journal of Physical Chemistry B ◽

10.1021/jp070517y ◽

2007 ◽

Vol 111 (19) ◽

pp. 5316-5321 ◽

Cited By ~ 9

Author(s):

A. L. L. East ◽

J. Hafner

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Aluminum Chloride ◽

Quantum Chemical ◽

Short Range ◽

Short Range Order ◽

Liquid Aluminum ◽

Ab Initio Molecular Dynamics ◽

A force-field description of short-range repulsions for high density alkane molecular dynamics simulations

Journal of Computational Chemistry ◽

10.1002/jcc.20116 ◽

2004 ◽

Vol 25 (16) ◽

pp. 1953-1966 ◽

Cited By ~ 24

Author(s):

Joseph M. Hayes ◽

James C. Greer ◽

David A. Morton-Blake

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Short Range ◽

High Density ◽