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Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

EngineeringPhysicsInterfacial PhenomenonSilica–water InteractionMulti-scale SimulationNatural SciencesInterfacial PhenomenaInterfacial StudyComputational ChemistryMolecular SimulationChemistryQuantum ChemistryMolecular MechanicMolecular Dynamics