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

  • 2013
2013
  • article
article2013M.G. VergnioryM.A.L. MarquesS. BottiM. AmslerS. GoedeckerE.V. ChulkovA. ErnstA.H. Romero

Comment on "topological insulators in ternary compounds with a honeycomb lattice"

M.G. Vergniory, M.A.L. Marques, S. Botti, M. Amsler, S. Goedecker, E.V. Chulkov, A. Ernst, A.H. Romero:
Physical Review Letters (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84875240930&doi=10.1103%2fPhysRevLett.110.129701&partnerID=40&md5=795072c6cd04f6a64434c9a92a8c8d4dhttps://dx.doi.org/10.1103/PhysRevLett.110.129701
2013
  • article
article2013Maximilian AmslerSilvana BottiMiguel A. L. MarquesStefan Goedecker

Conducting boron sheets formed by the reconstruction of the α-boron (111) surface

Maximilian Amsler, Silvana Botti, Miguel A. L. Marques, Stefan Goedecker:
Physical Review Letters (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84884790657&doi=10.1103%2fPhysRevLett.111.136101&partnerID=40&md5=a33b403a97189c87f2bff8e82f208a7dhttps://dx.doi.org/10.1103/PhysRevLett.111.136101
2013
  • article
article2013A. FarhatM. KorekS.N. Abdul-AlM.A.L. Marques

Electronic structure with spin orbit calculations of the low-lying electronic states of the molecule YS

A. Farhat, M. Korek, S.N. Abdul-Al, M.A.L. Marques:
Chemical Physics (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84873099337&doi=10.1016%2fj.chemphys.2012.12.011&partnerID=40&md5=994857a6dc39a4cd7da3140481b0ba4ahttps://dx.doi.org/10.1016/j.chemphys.2012.12.011
2013
  • article
article2013Duanjun CaiMiguel A. L. MarquesFernando Nogueira

Full color modulation of firefly luciferase through engineering with unified stark effect

Duanjun Cai, Miguel A. L. Marques, Fernando Nogueira:
Journal of Physical Chemistry B (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84887809138&doi=10.1021%2fjp405665v&partnerID=40&md5=2f45551416190821801ce121504809fchttps://dx.doi.org/10.1021/jp405665v
2013
  • article
article2013Tran Doan HuanMaximilian AmslerMiguel A. L. MarquesSilvana BottiAlexander WillandStefan Goedecker

Low-energy polymeric phases of alanates

Tran Doan Huan, Maximilian Amsler, Miguel A. L. Marques, Silvana Botti, Alexander Willand, Stefan Goedecker:
Physical Review Letters (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84875460340&doi=10.1103%2fPhysRevLett.110.135502&partnerID=40&md5=2c77a8c86b371f70e5252ef97cfc022chttps://dx.doi.org/10.1103/PhysRevLett.110.135502
2013
  • article
article2013Maximilian AmslerJosé A. Flores-LivasMiguel A.L. MarquesSilvana BottiStefan Goedecker

Prediction of a novel monoclinic carbon allotrope

Maximilian Amsler, José A. Flores-Livas, Miguel A.L. Marques, Silvana Botti, Stefan Goedecker:
European Physical Journal B (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84884504031&doi=10.1140%2fepjb%2fe2013-40639-4&partnerID=40&md5=bbdda23b5a3a82d3349b3a5cbc2bc71ahttps://dx.doi.org/10.1140/epjb/e2013-40639-4
2013
  • article
article2013Ch. NeidelJ. KleiC.-H. YangA. RouzéeM.J.J. VrakkingK. KlünderM. MirandaC.L. ArnoldT. FordellA. L'HuillierM. GisselbrechtP. JohnssonM.P. DinhE. SuraudP.-G. ReinhardV. DespréM.A.L. MarquesF. Lépine

Probing time-dependent molecular dipoles on the attosecond time scale

Ch. Neidel, J. Klei, C.-H. Yang, A. Rouzée, M.J.J. Vrakking, K. Klünder, M. Miranda, C.L. Arnold, T. Fordell, A. L'Huillier, M. Gisselbrecht, P. Johnsson, M.P. Dinh, E. Suraud, P.-G. Reinhard, V. Despré, M.A.L. Marques, F. Lépine:
Physical Review Letters (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84880586370&doi=10.1103%2fPhysRevLett.111.033001&partnerID=40&md5=24154ac7ee4b644abbd25bec38f6e077https://dx.doi.org/10.1103/PhysRevLett.111.033001
2013
  • article
article2013Rafael Sarmiento-PérezTiago F. T. CerqueiraIrais Valencia-JaimeMaximilian AmslerStefan GoedeckerSilvana BottiMiguel A. L. MarquesAldo H. Romero

Sodium-gold binaries: Novel structures for ionic compounds from an ab initio structural search

Rafael Sarmiento-Pérez, Tiago F. T. Cerqueira, Irais Valencia-Jaime, Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A. L. Marques, Aldo H. Romero:
New Journal of Physics (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84888312716&doi=10.1088%2f1367-2630%2f15%2f11%2f115007&partnerID=40&md5=a719b7efcde77b2a8968dd459dcb7b14https://dx.doi.org/10.1088/1367-2630/15/11/115007
2013
  • article
article2013Silvana BottiMiguel A. L. Marques

Strong renormalization of the electronic band gap due to lattice polarization in the gw formalism

Silvana Botti, Miguel A. L. Marques:
Physical Review Letters (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84878516905&doi=10.1103%2fPhysRevLett.110.226404&partnerID=40&md5=ca5d0cc29732f30bd494daad8799e8c7https://dx.doi.org/10.1103/PhysRevLett.110.226404
2013
  • article
article2013Tiago F.T. CerqueiraRafael Sarmiento-PérezFabio TraniMaximilian AmslerStefan GoedeckerMiguel A.L. MarquesSilvana Botti

The crystal structure of p-type transparent conductive oxide CuBO 2

Tiago F.T. Cerqueira, Rafael Sarmiento-Pérez, Fabio Trani, Maximilian Amsler, Stefan Goedecker, Miguel A.L. Marques, Silvana Botti:
MRS Communications (2013)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84885638426&doi=10.1557%2fmrc.2013.21&partnerID=40&md5=391ccaa218bb9e3a4a392533307cd478https://dx.doi.org/10.1557/mrc.2013.21
  • 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