Miguel Alexandre Lopes Marques

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Silvana BottiRC-FEMS and Faculty of Physics, Ruhr University Bochum, GermanyVerified email at rub.de
E.K.U. GrossThe Hebrew University of Jerusalem eberhard.gross'at'mail.huji.ac.ilVerified email at mail.huji.ac.il
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHVerified email at mpsd.mpg.de
Alberto CastroARAID Foundation and Institute for Biocomputation and Physics of Complex Systems, University ofVerified email at bifi.es
Fernando NogueiraCoimbraVerified email at uc.pt
Stefan GoedeckerUniversity of Basel, SwitzerlandVerified email at unibas.ch
Jonathan SchmidtETH ZurichVerified email at mat.ethz.ch
Nektarios N. LathiotakisDirector of Research, National Hellenic Research Foundation, Theoretical and Physical ChemistryVerified email at eie.gr
Micael J. T. OliveiraMax Planck Institute for the Structure and Dynamics of MatterVerified email at mpsd.mpg.de
Maximilian AmslerCornell UniversityVerified email at cornell.edu
José A. Flores LivasSapienza University of RomeVerified email at uniroma1.it
Martin LuedersMax Planck Institute for Structure and Dynamics of MatterVerified email at mpsd.mpg.de
Tiago CerqueiraUniversity of CoimbraVerified email at uc.pt
Pedro BorlidoUniversity of CoimbraVerified email at uc.pt
Gianni ProfetaUniversity of L'AquilaVerified email at aquila.infn.it
Alessandra ContinenzaUniversità degli studi dell'AquilaVerified email at aquila.infn.it
Andrea FlorisSenior Lecturer, University of LincolnVerified email at lincoln.ac.uk
Xavier AndradeLawrence Livermore National LaboratoryVerified email at llnl.gov
Alfonso San-MiguelPhysicist, Professor, Université Lyon 1 & CNRS, Institut Lumière Matière, FRANCEVerified email at univ-lyon1.fr
Rafael A. Sarmiento PerezUniversity of BaselVerified email at unibas.ch

Miguel Alexandre Lopes Marques

RC-FEMS and Faculty of Mechanical Engineering, Ruhr University Bochum

Verified email at rub.de - Homepage

Density Functional Theory Materials Science Machine Learning


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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	1468	2019
A primer in density functional theory C Fiolhais, F Nogueira, MAL Marques Springer, 2003	936*	2003
Time-dependent density functional theory MAL Marques, CA Ullrich, F Nogueira, A Rubio, K Burke, EKU Gross Springer, 2006	909	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	885	2003
The electron gas in TDDFT and SCDFT MAL Marques, EKU Gross The Electron Liquid Paradigm in Condensed Matter Physics, 127-167, 2004	840	2004
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	832	2006
Fundamentals of time-dependent density functional theory MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio Springer, 2012	769	2012
Time-dependent density functional theory MAL Marques, EKU Gross Annu. Rev. Phys. Chem. 55, 427-455, 2004	668	2004
Propagators for the time-dependent Kohn–Sham equations A Castro, MAL Marques, A Rubio The Journal of chemical physics 121 (8), 3425-3433, 2004	625	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	603	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	529	2015
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	453	2018
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	426	2020
Density-based mixing parameter for hybrid functionals MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti Physical Review B 83 (3), 035119, 2011	383	2011
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	351	2005
Crystal structure of cold compressed graphite M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ... Physical review letters 108 (6), 065501, 2012	338	2012
Time-dependent density functional theory MAL Marques, EKU Gross A Primer in Density Functional Theory, 144-184, 2003	316*	2003
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	309	2012
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	276	2020
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	275	2017

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