Computer Physics Communications · 2020 · 233 citations · 68 references
Natural SciencesChemistryPhysicsComputational ChemistryComputational PhysicsTheoretical ChemistryAb Initio MethodsAtomistic ModelingAtomistic SimulationDensity Functional TheoryMolecular DynamicsMolecular SimulationAb Initio CalculationsAb Initio Molecular DynamicsAb Initio Simulations
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Self-Consistent Equations Including Exchange and Correlation Effects
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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
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