Chemical Engineering Journal · 2020 · 285 citations · 42 references
EngineeringChemical EngineeringPetroleum EngineeringComputational ChemistryReservoir SimulationSurface ScienceMolecular DynamicsPetroleum GeochemistryShale Gas ReservoirsShale Oil ReservoirsAdsorption At Oil-water InterfacesAdsorption BehaviorGas AdsorptionGas Adsorption In ShaleKerogen GeochemistryMolecular Simulation AlgorithmsMolecular Simulation AnalysisSurface Adsorption Simulation
42
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Using collective variables to drive molecular dynamics simulations
Giacomo Fiorin, Michael L. Klein, Jérôme Hénin · Molecular Physics · 2013 · 1.1K citations · Full text
Natural Sciences, Chemistry, Physics +13