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Publications by Miguel A. L. Marques

Correction to Prediction of Stable Nitride Perovskites

Chemistry of Materials
Materials ChemistryChemistryChemical Engineering
2015English

Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

Computational Acceleration of Prospective Dopant Discovery in Cuprous Iodide

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Carbon Structures and Defect Planes in Diamond at High Pressure

Physical Review B
2013English

Time-Dependent Density Functional Theory

Lecture Notes in Physics
AstronomyPhysics
2003English

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