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

  • 2011
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
2010
  • article
article2010N.N. LathiotakisS. SharmaN. HelbigJ.K. DewhurstM.A.L. MarquesF. EichT. BaldsiefenA. ZacariasE.K.U. Gross

Discontinuities of the chemical potential in reduced density matrix functional theory

N.N. Lathiotakis, S. Sharma, N. Helbig, J.K. Dewhurst, M.A.L. Marques, F. Eich, T. Baldsiefen, A. Zacarias, E.K.U. Gross:
Zeitschrift fur Physikalische Chemie (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77953305727&doi=10.1524%2fzpch.2010.6118&partnerID=40&md5=ddc4c24294ae276461596334ca9da6c3https://dx.doi.org/10.1524/zpch.2010.6118
2010
  • article
article2010Julien VidalFabio TraniFabien BrunevalMiguel A.L. MarquesSilvana Botti

Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides

Julien Vidal, Fabio Trani, Fabien Bruneval, Miguel A.L. Marques, Silvana Botti:
Physical Review Letters (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77950192122&doi=10.1103%2fPhysRevLett.104.136401&partnerID=40&md5=e0fd922d632ab60d6e8c7f64615df1d9https://dx.doi.org/10.1103/PhysRevLett.104.136401
2010
  • article
article2010Joś G. VilhenaSilvana BottiMiguel A. L. Marques

Excitonic effects in the optical properties of CdSe nanowires

Joś G. Vilhena, Silvana Botti, Miguel A. L. Marques:
Applied Physics Letters (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77950306663&doi=10.1063%2f1.3368126&partnerID=40&md5=11d0357567b5b63ea6f77124c1709d46https://dx.doi.org/10.1063/1.3368126
2010
  • article
article2010Bruce F. MilneMiguel A. L. MarquesFernando Nogueira

Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity

Bruce F. Milne, Miguel A. L. Marques, Fernando Nogueira:
Physical Chemistry Chemical Physics (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77958577878&doi=10.1039%2fc0cp00932f&partnerID=40&md5=1853223ce4a1806e2a9ba2c8c15b96d9https://dx.doi.org/10.1039/c0cp00932f
2010
  • article
article2010E. RäsänenS. PittalisG. VilhenaM.A.L. Marques

Semi-local density functional for the exchange-correlation energy of electrons in two dimensions

E. Räsänen, S. Pittalis, G. Vilhena, M.A.L. Marques:
International Journal of Quantum Chemistry (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-77954877100&doi=10.1002%2fqua.22604&partnerID=40&md5=cb8c63e78f4906cb1868bea413a3d66ehttps://dx.doi.org/10.1002/qua.22604
2010
  • article
article2010Micael J.T. OliveiraEsa RäsänenStefano PittaliMiguel A.L. Marques

Toward an all-around semilocal potential for electronic exchange

Micael J.T. Oliveira, Esa Räsänen, Stefano Pittali, Miguel A.L. Marques:
Journal of Chemical Theory and Computation (2010)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-78651309954&doi=10.1021%2fct100448x&partnerID=40&md5=491577a3e80251f6c66e99c31d4fcc31https://dx.doi.org/10.1021/ct100448x
  • 2009
2009
  • article
article2009Silvana BottiHans-Christian WeisskerMiguel A. L. Marques

Alloying effects on the optical properties of Ge1-x Six nanocrystals from time-dependent density functional theory and comparison with effective-medium theory

Silvana Botti, Hans-Christian Weissker, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-66149183136&doi=10.1103%2fPhysRevB.79.155440&partnerID=40&md5=837e25ce486b24bc5547844e13490a87https://dx.doi.org/10.1103/PhysRevB.79.155440
2009
  • article
article2009Stefano PittalisEsa RäsänenJosé G. VilhenaMiguel A. L. Marques

Density gradients for the exchange energy of electrons in two dimensions

Stefano Pittalis, Esa Räsänen, José G. Vilhena, Miguel A. L. Marques:
Physical Review A - Atomic, Molecular, and Optical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-58849092419&doi=10.1103%2fPhysRevA.79.012503&partnerID=40&md5=5fb1dae475c670692a03815807bbdf85https://dx.doi.org/10.1103/PhysRevA.79.012503
2009
  • article
article2009N.N. LathiotakisS. SharmaJ.K. DewhurstF.G. EichM.A.L. MarquesE.K.U. Gross

Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas

N.N. Lathiotakis, S. Sharma, J.K. Dewhurst, F.G. Eich, M.A.L. Marques, E.K.U. Gross:
Physical Review A - Atomic, Molecular, and Optical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-65649098105&doi=10.1103%2fPhysRevA.79.040501&partnerID=40&md5=23bfae5d7f1a14c98e7a4afa34a4011chttps://dx.doi.org/10.1103/PhysRevA.79.040501
2009
  • article
article2009Silvana BottiAlberto CastroNektarios N. LathiotakisXavier AndradeMiguel A.L. Marques

Optical and magnetic properties of boron fullerenes

Silvana Botti, Alberto Castro, Nektarios N. Lathiotakis, Xavier Andrade, Miguel A.L. Marques:
Physical Chemistry Chemical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-66749135281&doi=10.1039%2fb902278c&partnerID=40&md5=efbad81b3625d57cafed7ef42de5295ahttps://dx.doi.org/10.1039/b902278c
2009
  • article
article2009Micael J. T. OliveiraFernando NogueiraMiguel A. L. MarquesAngel Rubio

Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory

Micael J. T. Oliveira, Fernando Nogueira, Miguel A. L. Marques, Angel Rubio:
Journal of Chemical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-72049095360&doi=10.1063%2f1.3265767&partnerID=40&md5=a99170b702eaf3349bde9848e01547f9https://dx.doi.org/10.1063/1.3265767
2009
  • article
article2009Alberto CastroMiguel A.L. MarquesDaniele VarsanoFrancesco SottileAngel Rubio

The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?

Alberto Castro, Miguel A.L. Marques, Daniele Varsano, Francesco Sottile, Angel Rubio:
Comptes Rendus Physique (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-70349176716&doi=10.1016%2fj.crhy.2008.09.001&partnerID=40&md5=8a4a4bdb8364e31a96305fd8f4d31e2dhttps://dx.doi.org/10.1016/j.crhy.2008.09.001
2009
  • article
article2009Angel RubioMiguel Marques

Time-dependent density-functional theory

Angel Rubio, Miguel Marques:
Physical Chemistry Chemical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-66749164170&doi=10.1039%2fb908105b&partnerID=40&md5=a26d1bf1feebb4448be99bfea6c542e6https://dx.doi.org/10.1039/b908105b
2009
  • article
article2009Daniele VarsanoLeonardo A. Espinosa-LealXavier AndradeMiguel A. L. MarquesRosa Di FeliceAngel Rubio

Towards a gauge invariant method for molecular chiroptical properties in TDDFT

Daniele Varsano, Leonardo A. Espinosa-Leal, Xavier Andrade, Miguel A. L. Marques, Rosa Di Felice, Angel Rubio:
Physical Chemistry Chemical Physics (2009)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-66749139058&doi=10.1039%2fb903200b&partnerID=40&md5=f45ee8744bc9d2946d15371310b9f6e2https://dx.doi.org/10.1039/b903200b
  • 2008
2008
  • article
article2008N.N. LathiotakisMiguel A. L. Marques

Benchmark calculations for reduced density-matrix functional theory

N.N. Lathiotakis, Miguel A. L. Marques:
Journal of Chemical Physics (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-43949118088&doi=10.1063%2f1.2899328&partnerID=40&md5=30f5c67e9c8df44b953a4a1c7090b5a2https://dx.doi.org/10.1063/1.2899328