Acta Materialia · 2019 · 53 citations · 44 references
Natural SciencesMaterials EngineeringMaterials ScienceElectrochemistryMaterials ChemistryPhysical ChemistryAb Initio MethodsAnode MaterialsBattery MaterialsElectrode MaterialsEnergy StorageEnergy Storage MaterialsAb Initio Phase StabilityAb Initio SimulationsConductivityElectronic ConductivityLithium-ion BatteriesLithium-ion Battery Anode MaterialsLithium-ion Battery ChemistryLithium-ion Battery Materials
44
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
Li−Fe−P−O<sub>2</sub> Phase Diagram from First Principles Calculations
Shyue Ping Ong, Lei Wang, Byoungwoo Kang et al. · Chemistry of Materials · 2008 · 807 citations