VASPMATE: An integrated user-interface program for high-throughput first principles computations through VASP code
Zhongwen Pan, Z.R. Liu, Tengfei Xu, Dominik Legut, Ruifeng Zhang
Topics & Concepts
Computer scienceWorkflowComputational scienceComputationInterface (matter)Graphical user interfaceThroughputCode (set theory)Parallel computingAlgorithmDatabaseProgramming languageBubbleTelecommunicationsSet (abstract data type)Maximum bubble pressure methodWirelessMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesCatalysis and Oxidation Reactions