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
Jonathan SchmidtETH ZurichVerified email at mat.ethz.ch
Stefan GoedeckerUniversity of Basel, SwitzerlandVerified email at unibas.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
Tiago CerqueiraUniversity of CoimbraVerified email at uc.pt
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
Pedro BorlidoUniversity of CoimbraVerified email at uc.pt
Antonio SannaMax Plank Institute of microstructure physicsVerified email at mpi-halle.mpg.de
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
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

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	1856	2019
Time-dependent density functional theory MAL Marques, EKU Gross Annu. Rev. Phys. Chem. 55, 427-455, 2004	1565	2004
Time-dependent density functional theory MAL Marques, CA Ullrich, F Nogueira, A Rubio, K Burke, EKU Gross Springer, 2006	1012	2006
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	902	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	863*	2006
Fundamentals of time-dependent density functional theory MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio Springer, 2012	829	2012
Propagators for the time-dependent Kohn–Sham equations A Castro, MAL Marques, A Rubio The Journal of chemical physics 121 (8), 3425-3433, 2004	663	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	660	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	605	2018
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	564	2015
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	558	2020
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	419	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—Condensed Matter and Materials Physics 72 (2), 024545, 2005	370	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	353	2012
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	336	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	329	2017
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	319	2012
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	318	2016

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