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Ab initio materials design using conformational space annealing and its application to searching for direct band gap silicon crystals

Materials EngineeringMaterials ScienceEngineeringPhysicsCrystal MaterialCrystal Growth TechnologyApplied PhysicsQuantum MaterialsSemiconductor MaterialCrystal Structure DesignCrystallographyAb Initio MaterialsAb-initio MethodConformational Space Annealing