Recent advances in machine learning interatomic potentials for cross-scale computational simulation of materials
Nian Ran, Liang Yin, Wujie Qiu, Jianjun Liu
Topics & Concepts
Computer scienceScale (ratio)Interatomic potentialField (mathematics)Data scienceSampling (signal processing)Molecular dynamicsNanotechnologyComputational scienceMaterials sciencePhysicsChemistryComputational chemistryMathematicsComputer visionPure mathematicsFilter (signal processing)Quantum mechanicsMachine Learning in Materials ScienceComputational Drug Discovery MethodsX-ray Diffraction in Crystallography