CALYPSO: A method for crystal structure prediction
Yanchao Wang, Jian Lv, Li Zhu, Yanming Ma
Topics & Concepts
Crystal structure predictionParticle swarm optimizationMetastabilityCode (set theory)MinificationCrystal structureAlgorithmComputer scienceGlobal optimizationCrystal (programming language)Focus (optics)SoftwareComputational scienceMaterials scienceStatistical physicsMathematical optimizationPhysicsMathematicsCrystallographyChemistryProgramming languageQuantum mechanicsOpticsSet (abstract data type)Machine Learning in Materials ScienceCrystallography and molecular interactionsEnergetic Materials and Combustion