Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

References

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	Year	Citations
Fast Parallel Algorithms for Short-Range Molecular Dynamics Steven J. Plimpton Journal of Computational Physics EngineeringFast Parallel AlgorithmsParallel ProgrammingComputational ChemistryParallel Computing	1995	43.6K
Scalable molecular dynamics with NAMD J. C. Phillips, Rosemary Braun, Wei Wang, Journal of Computational Chemistry	2005	17.1K
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation Berk Hess, Carsten Kutzner, David van der Spoel, Journal of Chemical Theory and Computation Cluster ComputingEngineeringMolecular BiologyComputational ChemistryScalable Molecular Simulation	2008	15.8K
GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems Martin H. Schultz SIAM Journal on Scientific and Statistical Computing Numerical AnalysisReduced Order ModelingLinear SystemsEngineeringPde-constrained Optimization	1986	10.9K
ReaxFF: A Reactive Force Field for Hydrocarbons Adri C. T. van Duin, Siddharth Dasgupta, François Lorant, The Journal of Physical Chemistry A Bond DissociationChemical KineticsChemical ThermodynamicsEngineeringForce Field	2001	6.1K
A reactive potential for hydrocarbons with intermolecular interactions Steven J. Stuart, Alan B. Tutein, Judith A. Harrison The Journal of Chemical Physics Materials ScienceMolecular SolidTorsional PotentialsEngineeringNatural Sciences	2000	4.3K
Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Donald W. Brenner Physical review. B, Condensed matter EngineeringComputational ChemistryVacuum DeviceChemistryChemical Deposition	1990	4K
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Donald W. Brenner, Olga Shenderova, Judith A. Harrison, Journal of Physics Condensed Matter EngineeringComputational ChemistrySolid CarbonChemistryPotential Energy Expression	2002	3.7K
Charge equilibration for molecular dynamics simulations Anthony K. Rappé, William A. Goddard The Journal of Physical Chemistry EngineeringDatabasesAltmetric Attention ScoreBibliometricsComputational Chemistry	1991	3.4K
Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters K. J. Bowers, Federico D. Sacerdoti, John K. Salmon, Cluster ComputingEngineeringComputer ArchitectureComputational ChemistryChemistry	2006	2.4K

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