Miguel Alexandre Lopes Marques

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Silvana BottiFriedrich Schiller University JenaVerified email at uni-jena.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
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
Jonathan SchmidtMaster of Science, Martin-Luther University Halle-WittenbergVerified email at student.uni-halle.de
José A. Flores LivasSapienza University of RomeVerified email at uniroma1.it
Martin LuedersSTFC Daresbury LaboratoryVerified email at stfc.ac.uk
Tiago CerqueiraUniversity of CoimbraVerified email at uc.pt
Alessandra ContinenzaUniversità degli studi dell'AquilaVerified email at aquila.infn.it
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
Andrea FlorisSenior Lecturer, University of LincolnVerified email at lincoln.ac.uk
Pedro BorlidoUniversity of JenaVerified email at uni-jena.de
Rafael A. Sarmiento PerezUniversity of BaselVerified email at unibas.ch

Miguel Alexandre Lopes Marques

Institute of Physics, Martin-Luther-Universität Halle-Wittenberg

Verified email at physik.uni-halle.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), 1-36, 2019	915	2019
Time-dependent density functional theory MAL Marques, CA Ullrich, F Nogueira, A Rubio, K Burke, EKU Gross Springer, 2006	892	2006
A primer in density functional theory C Fiolhais, F Nogueira, MAL Marques Springer, 2003	863*	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	813	2003
The electron gas in TDDFT and SCDFT MAL Marques, EKU Gross The Electron Liquid Paradigm in Condensed Matter Physics, 127-167, 2004	802	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	774*	2006
Fundamentals of time-dependent density functional theory MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio Springer, 2012	664	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	579	2004
Time-dependent density functional theory MAL Marques, EKU Gross Annu. Rev. Phys. Chem. 55, 427-455, 2004	569	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	510	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	455	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	344	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	318	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	303	2005
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	274	2018
TDDFT in massively parallel computer architectures: the octopus project X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...	274*	2012
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	240	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	239	2005
Benchmarking the starting points of the GW approximation for molecules F Bruneval, MAL Marques Journal of Chemical Theory and Computation, 2012	226	2012
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	222	2020

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