Prof. Dr. Miguel Marques


E-Mail: miguel.marques@rub.de

Miguel Marques too studied physics, namely at the University of Coimbra in his native Portugal. He obtained his doctorate in 2000, likewise in physics, at the University of Würzburg in the field of density functional theory of superconductors. Marques then held several postdoctoral positions in Spain, Germany and France; he habilitated in Lyon in 2009. Most recently, he was a professor at Martin Luther University Halle-Wittenberg.

https://www.icams.de/institute/departments-groups/artificial-intelligence/

Publications

  • 2012
2012
  • article
article2012U. De GiovanniniD. VarsanoM.A.L. MarquesH. AppelE.K.U. GrossA. Rubio

Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory

U. De Giovannini, D. Varsano, M.A.L. Marques, H. Appel, E.K.U. Gross, A. Rubio:
Physical Review A - Atomic, Molecular, and Optical Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84863098284&doi=10.1103%2fPhysRevA.85.062515&partnerID=40&md5=0ea20fa18a090c268fd064f1977843a4https://dx.doi.org/10.1103/PhysRevA.85.062515
2012
  • article
article2012A. FarhatM. KorekM.A.L. MarquesS.N. Abdul-Al

Ab initio calculation of the low-lying electronic states of the ZrN molecule

A. Farhat, M. Korek, M.A.L. Marques, S.N. Abdul-Al:
Canadian Journal of Chemistry (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84863832594&doi=10.1139%2fv2012-036&partnerID=40&md5=feb4c1847ed8c39b25dbeac3da928180https://dx.doi.org/10.1139/v2012-036
2012
  • article
article2012Maximilian AmslerJosé A. Flores-LivasLauri LehtovaaraFelix BalimaS. Alireza GhasemiDenis MachonStéphane PailhèsAlexander WillandDamien CalisteSilvana BottiAlfonso San MiguelStefan GoedeckerMiguel A. L. Marques

Crystal structure of cold compressed graphite

Maximilian Amsler, José A. Flores-Livas, Lauri Lehtovaara, Felix Balima, S. Alireza Ghasemi, Denis Machon, Stéphane Pailhès, Alexander Willand, Damien Caliste, Silvana Botti, Alfonso San Miguel, Stefan Goedecker, Miguel A. L. Marques:
Physical Review Letters (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84856752603&doi=10.1103%2fPhysRevLett.108.065501&partnerID=40&md5=f15ce4935245a6ffece31561d3dd3ae9https://dx.doi.org/10.1103/PhysRevLett.108.065501
2012
  • article
article2012Miguel A. L. MarquesNeepa T. MaitraFernando M. S. NogueiraEberhard K. U. GrossAngel Rubio

Fundamentals of time-dependent density functional theory

Miguel A. L. Marques, Neepa T. Maitra, Fernando M. S. Nogueira, Eberhard K. U. Gross, Angel Rubio:
Lecture Notes in Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84858051090&partnerID=40&md5=9b5648f3051bf9554635fef41ed01afb
2012
  • article
article2012José A. Flores-LivasMaximilian AmslerThomas J. LenoskyLauri LehtovaaraSilvana BottiMiguel A. L. MarquesStefan Goedecker

High-pressure structures of disilane and their superconducting properties

José A. Flores-Livas, Maximilian Amsler, Thomas J. Lenosky, Lauri Lehtovaara, Silvana Botti, Miguel A. L. Marques, Stefan Goedecker:
Physical Review Letters (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84858221363&doi=10.1103%2fPhysRevLett.108.117004&partnerID=40&md5=eaba5133bbc20077de36104ddd368eb6https://dx.doi.org/10.1103/PhysRevLett.108.117004
2012
  • article
article2012A. PutajaE. RäsänenR. Van LeeuwenJ.G. VilhenaM.A.L. Marques

Kirzhnits gradient expansion in two dimensions

A. Putaja, E. Räsänen, R. Van Leeuwen, J.G. Vilhena, M.A.L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84860289178&doi=10.1103%2fPhysRevB.85.165101&partnerID=40&md5=c54c78ad682f3497c0081ce032fe1727https://dx.doi.org/10.1103/PhysRevB.85.165101
2012
  • article
article2012Miguel A.L. MarquesMicael J.T. OliveiraTobias Burnus

Libxc: A library of exchange and correlation functionals for density functional theory

Miguel A.L. Marques, Micael J.T. Oliveira, Tobias Burnus:
Computer Physics Communications (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84863086513&doi=10.1016%2fj.cpc.2012.05.007&partnerID=40&md5=592de7eb0b692a70efbc9e9eb55a470ehttps://dx.doi.org/10.1016/j.cpc.2012.05.007
2012
  • article
article2012Silvana BottiJosé A. Flores-LivasMaximilian AmslerStefan GoedeckerMiguel A. L. Marques

Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

Silvana Botti, José A. Flores-Livas, Maximilian Amsler, Stefan Goedecker, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84867025843&doi=10.1103%2fPhysRevB.86.121204&partnerID=40&md5=594617a52509110bb6aa63c5166b32dahttps://dx.doi.org/10.1103/PhysRevB.86.121204
2012
  • article
article2012Maximilian AmslerJosé A. Flores-LivasTran Doan HuanSilvana BottiMiguel A. L. MarquesStefan Goedecker

Novel structural motifs in low energy phases of LiAlH 4

Maximilian Amsler, José A. Flores-Livas, Tran Doan Huan, Silvana Botti, Miguel A. L. Marques, Stefan Goedecker:
Physical Review Letters (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84861618559&doi=10.1103%2fPhysRevLett.108.205505&partnerID=40&md5=39aaa784bdc8725a90c38d07d557ba1bhttps://dx.doi.org/10.1103/PhysRevLett.108.205505
2012
  • article
article2012D. HapiukMiguel A. L. MarquesP. MélinonJosé A. Flores-LivasSilvana BottiB. Masenelli

P doping in expanded phases of ZnO: An Ab initio study

D. Hapiuk, Miguel A. L. Marques, P. Mélinon, José A. Flores-Livas, Silvana Botti, B. Masenelli:
Physical Review Letters (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84858413827&doi=10.1103%2fPhysRevLett.108.115903&partnerID=40&md5=ecbe7ee0e2e45bea4de2b6f19a95cdcahttps://dx.doi.org/10.1103/PhysRevLett.108.115903
2012
  • article
article2012David KammerlanderSilvana BottiMiguel A. L MarquesAndrea MariniClaudio Attaccalite

Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation

David Kammerlander, Silvana Botti, Miguel A. L Marques, Andrea Marini, Claudio Attaccalite:
Physical Review B - Condensed Matter and Materials Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84866518509&doi=10.1103%2fPhysRevB.86.125203&partnerID=40&md5=df5e571dd8583e97413cb2506f7abb9dhttps://dx.doi.org/10.1103/PhysRevB.86.125203
2012
  • article
article2012Xavier AndradeJoseba Alberdi-RodriguezDavid A. StrubbeMicael J. T. OliveiraFernando NogueiraAlberto CastroJavier MuguerzaAgustin ArruabarrenaSteven G. LouieAlán Aspuru-GuzikAngel RubioMiguel A.L. Marques

Time-dependent density-functional theory in massively parallel computer architectures: The octopus project

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J. T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, Miguel A.L. Marques:
Journal of Physics Condensed Matter (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84861109392&doi=10.1088%2f0953-8984%2f24%2f23%2f233202&partnerID=40&md5=cd686086b14877abbb9c53617cdd130fhttps://dx.doi.org/10.1088/0953-8984/24/23/233202
2012
  • article
article2012J.G. VilhenaE. RäsänenL. LehtovaaraM.A.L. Marques

Violation of a local form of the Lieb-Oxford bound

J.G. Vilhena, E. Räsänen, L. Lehtovaara, M.A.L. Marques:
Physical Review A - Atomic, Molecular, and Optical Physics (2012)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84861703362&doi=10.1103%2fPhysRevA.85.052514&partnerID=40&md5=02d2f4fec1f6899b8d4acb1b1686ca10https://dx.doi.org/10.1103/PhysRevA.85.052514
  • 2011
2011
  • article
article2011Duanjun CaiMiguel A. L. MarquesFernando Nogueira

Accurate color tuning of firefly chromophore by modulation of local polarization electrostatic fields

Duanjun Cai, Miguel A. L. Marques, Fernando Nogueira:
Journal of Physical Chemistry B (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-78651421262&doi=10.1021%2fjp105213v&partnerID=40&md5=70037739ad615fcb7045eb5264c79b87https://dx.doi.org/10.1021/jp105213v
2011
  • article
article2011Silvana BottiDavid KammerlanderMiguel A. L. Marques

Band structures of Cu2 ZnSnS4 and Cu2 ZnSnSe4 from many-body methods

Silvana Botti, David Kammerlander, Miguel A. L. Marques:
Applied Physics Letters (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79960615762&doi=10.1063%2f1.3600060&partnerID=40&md5=8353c235a2e1420033c0373d6a6b0119https://dx.doi.org/10.1063/1.3600060
2011
  • article
article2011N. HelbigJ.I. FuksM. CasulaM.J. VerstraeteM.A.L. MarquesI.V. TokatlyA. Rubio

Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

N. Helbig, J.I. Fuks, M. Casula, M.J. Verstraete, M.A.L. Marques, I.V. Tokatly, A. Rubio:
Physical Review A - Atomic, Molecular, and Optical Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79952632707&doi=10.1103%2fPhysRevA.83.032503&partnerID=40&md5=d8ee9c8389ad00f5df2a500c81b26f2ahttps://dx.doi.org/10.1103/PhysRevA.83.032503
2011
  • article
article2011Miguel A.L. MarquesJulien VidalMicael J.T. OliveiraLucia ReiningSilvana Botti

Density-based mixing parameter for hybrid functionals

Miguel A.L. Marques, Julien Vidal, Micael J.T. Oliveira, Lucia Reining, Silvana Botti:
Physical Review B - Condensed Matter and Materials Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79551608206&doi=10.1103%2fPhysRevB.83.035119&partnerID=40&md5=2c5a9532e7da060d9e164e8c8ffd0087https://dx.doi.org/10.1103/PhysRevB.83.035119
2011
  • article
article2011José A. Flores-LivasRégis DebordSilvana BottiAlfonso San MiguelMiguel A. L. MarquesStéphane Pailhès

Enhancing the superconducting transition temperature of BaSi2 by structural tuning

José A. Flores-Livas, Régis Debord, Silvana Botti, Alfonso San Miguel, Miguel A. L. Marques, Stéphane Pailhès:
Physical Review Letters (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79951963203&doi=10.1103%2fPhysRevLett.106.087002&partnerID=40&md5=db8644466c2aba31457e91df39dcf2a9https://dx.doi.org/10.1103/PhysRevLett.106.087002
2011
  • article
article2011Fabio TraniJulien VidalSilvana BottiMiguel A. L. Marques

Erratum: Band structures of delafossite transparent conductive oxides from a self-consistent GW approach (Physical Review B - Condensed Matter and Materials Physics (2010) 82 (085115))

Fabio Trani, Julien Vidal, Silvana Botti, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79551647180&doi=10.1103%2fPhysRevB.83.039901&partnerID=40&md5=4aae0ae70eb46003d79abcbd58dcbe5dhttps://dx.doi.org/10.1103/PhysRevB.83.039901
2011
  • article
article2011Micael J. T. OliveiraSilvana BottiMiguel A. L. Marques

Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations

Micael J. T. Oliveira, Silvana Botti, Miguel A. L. Marques:
Physical Chemistry Chemical Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-80051757537&doi=10.1039%2fc1cp20719a&partnerID=40&md5=02a7f8e653567da5597db415312e896fhttps://dx.doi.org/10.1039/c1cp20719a
2011
  • article
article2011David KammerlanderAlberto CastroMiguel A. L. Marques

Optimal control of the electronic current density: Application to one- and two-dimensional one-electron systems

David Kammerlander, Alberto Castro, Miguel A. L. Marques:
Physical Review A - Atomic, Molecular, and Optical Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79960652769&doi=10.1103%2fPhysRevA.83.043413&partnerID=40&md5=006b57b809502249cfa0610016bbb17ahttps://dx.doi.org/10.1103/PhysRevA.83.043413
2011
  • article
article2011Lauri LehtovaaraMiguel A. L. Marques

Simple preconditioning for time-dependent density functional perturbation theory

Lauri Lehtovaara, Miguel A. L. Marques:
Journal of Chemical Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-79960228443&doi=10.1063%2f1.3606467&partnerID=40&md5=1bf44cbd919307a3ca974674f849c5bfhttps://dx.doi.org/10.1063/1.3606467
2011
  • article
article2011José A. Flores-LivasRégis DebordSilvana BottiAlfonso San MiguelStéphane PailhèsMiguel A. L. Marques

Superconductivity in layered binary silicides: A density functional theory study

José A. Flores-Livas, Régis Debord, Silvana Botti, Alfonso San Miguel, Stéphane Pailhès, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2011)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-82455178948&doi=10.1103%2fPhysRevB.84.184503&partnerID=40&md5=8a39420685801ed6c2e1c346b6abb1c5https://dx.doi.org/10.1103/PhysRevB.84.184503
  • 2010
2010
  • article
article2010Fabio TraniJulien VidalSilvana BottiMiguel A. L. Marques

Band structures of delafossite transparent conductive oxides from a self-consistent GW approach

Fabio Trani, Julien Vidal, Silvana Botti, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77957598624&doi=10.1103%2fPhysRevB.82.085115&partnerID=40&md5=4b563f12f2c12bb82019246c225b1fc4https://dx.doi.org/10.1103/PhysRevB.82.085115
2010
  • article
article2010Duanjun CaiMiguel A. L. MarquesBruce F. MilneFernando Nogueira

Bioheterojunction effect on fluorescence origin and efficiency improvement of firefly chromophores

Duanjun Cai, Miguel A. L. Marques, Bruce F. Milne, Fernando Nogueira:
Journal of Physical Chemistry Letters (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77957910759&doi=10.1021%2fjz1009532&partnerID=40&md5=0184de7af3815834be403aff1d77ad09https://dx.doi.org/10.1021/jz1009532