Journal of Computational Chemistry · 2000 · 18 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryComputational PhysicsTheoretical ChemistryAb Initio MethodsDensity Functional TheoryInteratomic PotentialsMolecular DynamicsMolecular ModelingMolecular SimulationAb Initio Molecular DynamicsHybrid Quantum MechanicsMolecular Dynamics Force FieldsMolecular Simulation AlgorithmsNon-equilibrium Molecular DynamicsQuantum Chemistry SimulationQuantum Molecular Dynamics