AFLOW: An automatic framework for high-throughput materials discovery

References

Page 1

	Year	Citations
Generalized Gradient Approximation Made Simple John P. Perdew, Kieron Burke, Matthias Ernzerhof Physical Review Letters Numerical AnalysisEngineeringMachine LearningVariational AnalysisSimple Gga	1996	203.9K
Projector augmented-wave method Peter E. Blöchl Physical review. B, Condensed matter EngineeringOptic DesignAugmentation ProcedureComputational ChemistryChemistry	1994	87.4K
Special points for Brillouin-zone integrations Hendrik J. Monkhorst, J.D. Pack Physical review. B, Solid state Numerical AnalysisSpectral TheoryWave VectorBrillouin ZoneEngineering	1976	68.3K
Self-Consistent Equations Including Exchange and Correlation Effects W. Kohn, L. J. Sham Physical Review Quantum DynamicDynamic EquilibriumEngineeringComputational ChemistryElectronic Structure	1965	61.8K
<i>Ab initio</i>molecular dynamics for liquid metals Georg Kresse, J. Häfner Physical review. B, Condensed matter Quantum LiquidLiquid MetalsEngineeringPhysicsNatural Sciences	1993	43.6K
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Paolo Giannozzi, Stefano Baroni, Nicola Bonini, Journal of Physics Condensed Matter EngineeringMaterial SimulationComputational ChemistryElectronic StructureQuantum Computing	2009	28K
Hybrid functionals based on a screened Coulomb potential Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof The Journal of Chemical Physics	2003	18.5K
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study S. L. Dudarev, Gianluigi A. Botton, Sergey Y. Savrasov, Physical review. B, Condensed matter Metal IonsEngineeringStructural StabilityMagnetic ResonanceChemistry	1998	14.3K
Rationale for mixing exact exchange with density functional approximations John P. Perdew, Matthias Ernzerhof, Kieron Burke The Journal of Chemical Physics Spectral TheoryEngineeringContinuous GeneralizationComputational ChemistryFunctional Analysis	1996	6.4K
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the<b>LDA</b>+<i>U</i>method F. Aryasetiawan, A. I. Lichtenstein Journal of Physics Condensed Matter First-principles CalculationsEngineeringComputational ChemistryStrongly Correlated Electron SystemsChemistry	1997	4.1K

Page 1