CALYPSO: A method for crystal structure prediction

Yanchao Wang, Jian Lv, Li Zhu, +1

Computer Physics Communications

Crystal StructureEngineeringStructure DeterminationComputational ChemistryCrystal Structure Prediction +3

Crystal structure prediction via particle-swarm optimization

Yanchao Wang, Jian Lv, Li Zhu, +1

Physical Review B

Materials ScienceCrystal StructureEngineeringSimulated AnnealingMaterial Simulation +10

Particle-swarm structure prediction on clusters

Jian Lv, Yanchao Wang, Li Zhu, +1

The Journal of Chemical Physics

Cluster ComputingParticle-swarm Structure PredictionEngineeringNanoclusterMaterial Simulation +16

Predicted Novel High-Pressure Phases of Lithium

Jian Lv, Yanchao Wang, Li Zhu, +1

Physical Review Letters

Materials ScienceCrystal StructureEngineeringCrystal MaterialLithium-ion Battery +13

Reactions of xenon with iron and nickel are predicted in the Earth's inner core

Li Zhu, Hanyu Liu, Chris J. Pickard, +2

Nature Chemistry

Rare Earth MineralX-ray SpectroscopyEngineeringPhysicsNatural Sciences +4

Substitutional Alloy of Bi and Te at High Pressure

Li Zhu, Hui Wang, Yanchao Wang, +4

Physical Review Letters

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm

Yanchao Wang, Maosheng Miao, Jian Lv, +4

The Journal of Chemical Physics

Structure Prediction MethodEngineeringCubic Boron NitrideMechanical EngineeringMaterial Simulation +17

High pressure partially ionic phase of water ice

Yanchao Wang, Hanyu Liu, Jian Lv, +3

Nature Communications

Ice-water SystemEngineeringPhase EquilibriumHigh PressureCryosphere +1

Nickel–molybdenum–niobium metallic glass for efficient hydrogen oxidation in hydroxide exchange membrane fuel cells

Fei‐Yue Gao, Si-Nan Liu, Jiacheng Ge, +16

Nature Catalysis

Materials ScienceHydrogen Energy TechnologyChemical EngineeringEngineeringEfficient Hydrogen Oxidation +6

Water immersion cooling of PV cells in a high concentration system

Li Zhu, Robert F. Boehm, Yiping Wang, +2

Solar Energy Materials and Solar Cells

Chemical EngineeringPv CellsEngineeringHigh Concentration SystemApplied Physics +10