Molecular insight into the GaP(110)-water interface using machine learning accelerated molecular dynamics
Xue-Ting Fan, Xiaojian Wen, Yong‐Bin Zhuang, Jun Cheng
Topics & Concepts
Molecular dynamicsInterface (matter)Dynamics (music)Chemical physicsMaterials scienceComputer scienceNanotechnologyChemistryPsychologyPhysical chemistryComputational chemistryAdsorptionPedagogyGibbs isothermMachine Learning in Materials ScienceSpectroscopy and Quantum Chemical StudiesElectronic and Structural Properties of Oxides