Computer Physics Communications · 2018 · 16 citations · 14 references
Natural SciencesComputer SciencePhysicsComputational ChemistryComputational PhysicsScientific ComputingAb Initio MethodsEnergy MinimizationMolecular DynamicsNumerical AnalysisAccelerated OptimizationLennard-jones PotentialMolecular Simulation AlgorithmsVectorization
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Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text