Computational Materials Science · 2024 · 12 citations · 28 references
Natural SciencesMaterials EngineeringMaterials ScienceEnergy MaterialsInorganic ChemistrySolid-state ChemistryAb Initio MethodsElectrochemical Energy ConversionElectrochemical Energy StorageEnergy StorageEnergy Storage MaterialsMetalsAb Initio CalculationsAb Initio SimulationsEnergy Storage ApplicationsHydrogen Energy StorageHydrogen Energy Systems
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First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Hydrogen-storage materials for mobile applications
L. Schlapbach, Andreas Züttel · Nature · 2001 · 8.7K citations · Full text
Natural Sciences, Materials Engineering, Materials Science +12
Perdew, Burke, and Ernzerhof Reply:
J. P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1998 · 1.6K citations