Concepedia
Journal of Nuclear Materials · 2017 · 14 citations · 46 references
Materials ScienceNuclear CeramicEngineeringUranium DiborideNuclear FissionFirst-principles StudyNatural SciencesFission Product BehaviorFission EnergyDefect FormationNuclear MaterialsChemistryNuclear Engineering
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28K citations · Full text
Engineering, Material Simulation, Computational Chemistry +19
<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data
Koichi Momma, Fujio Izumi · Journal of Applied Crystallography · 2011 · 23.9K citations
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations
Engineering, First-principles Pseudopotentials, Functional Analysis +19
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 20.4K citations
Engineering, Mechanical Engineering, Computational Chemistry +22
High-precision sampling for Brillouin-zone integration in metals
M. Methfessel, A. T. Paxton · Physical review. B, Condensed matter · 1989 · 7.6K citations
Materials Science, Sampling Method, Engineering +14