Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
Bhupalee Kalita, Hatice Gökcan, Olexandr Isayev
Topics & Concepts
CentennialInterpretabilityBridging (networking)Artificial intelligenceComputer scienceQuantumChartMachine learningComputational mechanicsTransformative learningInteratomic potentialStatistical physicsFoundation (evidence)PhysicsDiscriminative modelStatistical mechanicsQuantum mechanicsStructural mechanicsCurse of dimensionalityMachine Learning in Materials ScienceQuantum many-body systemsComputational Drug Discovery Methods