Thermodynamic calculations using reverse Monte Carlo: A computational workflow for accelerated construction of phase diagrams for metal hydrides
Swati Rana, Dayadeep S. Monder, Abhijit Chatterjee
Topics & Concepts
Monte Carlo methodWorkflowPhase diagramPhase (matter)MetalThermodynamicsMaterials scienceStatistical physicsComputational scienceComputer scienceChemistryMetallurgyPhysicsMathematicsDatabaseOrganic chemistryStatisticsHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionNuclear Materials and Properties