Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, Chris Wolverton
Topics & Concepts
Density functional theoryBattery (electricity)StackingThroughputMaterials scienceTernary operationDatabaseCathodeAnodeComputer scienceNanotechnologyElectrodeChemistryComputational chemistryPhysical chemistryPhysicsThermodynamicsPower (physics)WirelessOrganic chemistryTelecommunicationsProgramming languageMachine Learning in Materials ScienceInorganic Chemistry and MaterialsAdvancements in Battery Materials