The next revolution in computational simulations: Harnessing AI and quantum computing in molecular dynamics
Anna Lappala
Topics & Concepts
InterpretabilityComputer scienceMultidisciplinary approachExploitMolecular dynamicsComputational modelData scienceArtificial intelligenceComputational scienceChemistrySocial scienceSociologyComputer securityComputational chemistryMachine Learning in Materials ScienceProtein Structure and DynamicsQuantum Computing Algorithms and Architecture