Miguel Alexandre Lopes Marques
Miguel Alexandre Lopes Marques
E-mail megerősítve itt: physik.uni-halle.de - Kezdőlap
Hivatkozott rá
Hivatkozott rá
Time-dependent density functional theory
MAL Marques, EKU Gross
Annu. Rev. Phys. Chem. 55, 427-455, 2004
A primer in density functional theory
C Fiolhais, F Nogueira, MAL Marques
Springer, 2003
Time-dependent density functional theory
MAL Marques, CA Ullrich, F Nogueira, A Rubio, K Burke, EKU Gross
Springer, 2006
octopus: a first-principles tool for excited electron–ion dynamics
MAL Marques, A Castro, GF Bertsch, A Rubio
Computer Physics Communications 151 (1), 60-78, 2003
octopus: a tool for the application of time‐dependent density functional theory
A Castro, H Appel, M Oliveira, CA Rozzi, X Andrade, F Lorenzen, ...
physica status solidi (b) 243 (11), 2465-2488, 2006
Fundamentals of time-dependent density functional theory
MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio
Springer, 2012
Recent advances and applications of machine learning in solid-state materials science
J Schmidt, MRG Marques, S Botti, MAL Marques
npj Computational Materials 5 (1), 1-36, 2019
Propagators for the time-dependent Kohn–Sham equations
A Castro, MAL Marques, A Rubio
The Journal of chemical physics 121 (8), 3425-3433, 2004
Libxc: A library of exchange and correlation functionals for density functional theory
MAL Marques, MJT Oliveira, T Burnus
Computer physics communications 183 (10), 2272-2281, 2012
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ...
Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015
Density-based mixing parameter for hybrid functionals
MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti
Physical Review B 83 (3), 035119, 2011
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals
M Lüders, MAL Marques, NN Lathiotakis, A Floris, G Profeta, L Fast, ...
Physical Review B 72 (2), 024545, 2005
Time-dependent density functional theory
MAL Marques, EKU Gross
A Primer in Density Functional Theory, 144-184, 2003
TDDFT in massively parallel computer architectures: the octopus project
X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...
Time-dependent density-functional approach for biological chromophores: the case of the green fluorescent protein
MAL Marques, X López, D Varsano, A Castro, A Rubio
Physical review letters 90 (25), 258101, 2003
Ab initio theory of superconductivity. II. Application to elemental metals
MAL Marques, M Lüders, NN Lathiotakis, G Profeta, A Floris, L Fast, ...
Physical Review B 72 (2), 024546, 2005
Benchmarking the starting points of the GW approximation for molecules
F Bruneval, MAL Marques
Journal of Chemical Theory and Computation, 2012
Recent developments in libxc—A comprehensive library of functionals for density functional theory
S Lehtola, C Steigemann, MJT Oliveira, MAL Marques
SoftwareX 7, 1-5, 2018
Direct observation of the mechanical properties of single-walled carbon nanotubes and their junctions at the atomic level
HE Troiani, M Miki-Yoshida, GA Camacho-Bragado, MAL Marques, ...
Nano letters 3 (6), 751-755, 2003
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Cikkek 1–20