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Miguel Alexandre Lopes Marques
Miguel Alexandre Lopes Marques
RC-FEMS and Faculty of Mechanical Engineering, Ruhr University Bochum
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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), 83, 2019
18562019
Time-dependent density functional theory
MAL Marques, EKU Gross
Annu. Rev. Phys. Chem. 55, 427-455, 2004
15652004
Time-dependent density functional theory
MAL Marques, CA Ullrich, F Nogueira, A Rubio, K Burke, EKU Gross
Springer, 2006
10122006
A primer in density functional theory
C Fiolhais, F Nogueira, MAL Marques
Springer, 2003
936*2003
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
9012003
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
863*2006
Fundamentals of time-dependent density functional theory
MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio
Springer, 2012
8292012
Propagators for the time-dependent Kohn–Sham equations
A Castro, MAL Marques, A Rubio
The Journal of chemical physics 121 (8), 3425-3433, 2004
6632004
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
6602012
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
6062018
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
5642015
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
5582020
Density-based mixing parameter for hybrid functionals
MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti
Physical Review B—Condensed Matter and Materials Physics 83 (3), 035119, 2011
4192011
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—Condensed Matter and Materials Physics 72 (2), 024545, 2005
3712005
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
3532012
Time-dependent density functional theory
MAL Marques, EKU Gross
A Primer in Density Functional Theory, 144-184, 2003
351*2003
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ...
The Journal of chemical physics 152 (12), 2020
3362020
Predicting the thermodynamic stability of solids combining density functional theory and machine learning
J Schmidt, J Shi, P Borlido, L Chen, S Botti, MAL Marques
Chemistry of Materials 29 (12), 5090-5103, 2017
3292017
TDDFT in massively parallel computer architectures: the octopus project
X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...
Journal of Physics: Condensed Matter 24 (23), 233202, 2012
3192012
Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations
S Körbel, MAL Marques, S Botti
Journal of Materials Chemistry C 4 (15), 3157-3167, 2016
3182016
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