Investigating water structure and dynamics at metal/water interfaces from classical, ab initio to machine learning molecular dynamics
Fei-Teng Wang, Jun Cheng
Topics & Concepts
Dynamics (music)Molecular dynamicsAb initioChemical physicsMetalMaterials scienceNanotechnologyStatistical physicsComputational chemistryChemistryPhysicsQuantum mechanicsMetallurgyAcousticsMachine Learning in Materials ScienceComputational Drug Discovery MethodsSpectroscopy and Quantum Chemical Studies