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

  • 2010
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
2008
  • article
article2008Silvana BottiAlberto CastroXavier AndradeAngel RubioMiguel A. L. Marques

Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces

Silvana Botti, Alberto Castro, Xavier Andrade, Angel Rubio, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-48749094745&doi=10.1103%2fPhysRevB.78.035333&partnerID=40&md5=97669bed584c8278b9ea1a6513a2c72bhttps://dx.doi.org/10.1103/PhysRevB.78.035333
2008
  • article
article2008Miguel A. L. MarquesN.N. Lathiotakis

Empirical functionals for reduced-density-matrix-functional theory

Miguel A. L. Marques, N.N. Lathiotakis:
Physical Review A - Atomic, Molecular, and Optical Physics (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-41449087638&doi=10.1103%2fPhysRevA.77.032509&partnerID=40&md5=f8461c104273a79cfc697a8fb704d725https://dx.doi.org/10.1103/PhysRevA.77.032509
2008
  • article
article2008S. PittalisE. RäsänenM.A.L. Marques

Local correlation functional for electrons in two dimensions

S. Pittalis, E. Räsänen, M.A.L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-57149124250&doi=10.1103%2fPhysRevB.78.195322&partnerID=40&md5=a6d9384076752929506141e4ecf7cf42https://dx.doi.org/10.1103/PhysRevB.78.195322
2008
  • article
article2008Micael J. T. OliveiraAlberto CastroMiguel A. L. MarquesAngel Rubio

On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures

Micael J. T. Oliveira, Alberto Castro, Miguel A. L. Marques, Angel Rubio:
Journal of Nanoscience and Nanotechnology (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-55849146706&doi=10.1166%2fjnn.2008.142&partnerID=40&md5=334f752c0be7e54004108a3c8ca1458dhttps://dx.doi.org/10.1166/jnn.2008.142
2008
  • article
article2008X. GonzeC.-O. AlmbladhA. CuccaD. CalisteC. FreysoldtM.A.L. MarquesV. OlevanoY. PouillonM.J. Verstraete

Specification of an extensible and portable file format for electronic structure and crystallographic data

X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M.A.L. Marques, V. Olevano, Y. Pouillon, M.J. Verstraete:
Computational Materials Science (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-52949122890&doi=10.1016%2fj.commatsci.2008.02.023&partnerID=40&md5=a9bb5e00673fba97fa68e8c43a060999https://dx.doi.org/10.1016/j.commatsci.2008.02.023
2008
  • article
article2008Alberto CastroMiguel A. L. MarquesAldo H. RomeroMicael J. T. OliveiraAngel Rubio

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures

Alberto Castro, Miguel A. L. Marques, Aldo H. Romero, Micael J. T. Oliveira, Angel Rubio:
Journal of Chemical Physics (2008)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-54949090097&doi=10.1063%2f1.2990745&partnerID=40&md5=c1b73a62de08315ccc1d24205cd6b46bhttps://dx.doi.org/10.1063/1.2990745
  • 2007
2007
  • article
article2007Miguel A. L. MarquesAlberto CastroGiuliano MallociGiacomo MulasSilvana Botti

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbons

Miguel A. L. Marques, Alberto Castro, Giuliano Malloci, Giacomo Mulas, Silvana Botti:
Journal of Chemical Physics (2007)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-34547838724&doi=10.1063%2f1.2746031&partnerID=40&md5=9243fd48a6f365548300cf461b94a9e5https://dx.doi.org/10.1063/1.2746031
2007
  • article
article2007Silvana BottiMiguel A. L. Marques

Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations

Silvana Botti, Miguel A. L. Marques:
Physical Review B - Condensed Matter and Materials Physics (2007)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33846349954&doi=10.1103%2fPhysRevB.75.035311&partnerID=40&md5=8043c6def4a81ed82a6ff2185f089f23https://dx.doi.org/10.1103/PhysRevB.75.035311
2007
  • article
article2007Claus Peter SchulzTobias BurnusAlberto CastroE.K.U. GrossAndreas HeidenreichIngolf V. HertelJoshua JortnerTim LaarmannIsidore LastRobert J. LevisMiguel A. L. MarquesDmitri A. RomanovAlejandro Saenz

Molecules and clusters in strong laser fields

Claus Peter Schulz, Tobias Burnus, Alberto Castro, E.K.U. Gross, Andreas Heidenreich, Ingolf V. Hertel, Joshua Jortner, Tim Laarmann, Isidore Last, Robert J. Levis, Miguel A. L. Marques, Dmitri A. Romanov, Alejandro Saenz:
Springer Series in Chemical Physics (2007)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-42549112554&doi=10.1007%2f978-3-540-68038-3_6&partnerID=40&md5=0fe6a9843611fdd8c2fdd8f81e024769https://dx.doi.org/10.1007/978-3-540-68038-3_6
2007
  • article
article2007Xavier AndradeSilvana BottiMiguel A. L. MarquesAngel Rubio

Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities

Xavier Andrade, Silvana Botti, Miguel A. L. Marques, Angel Rubio:
Journal of Chemical Physics (2007)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-34248348289&doi=10.1063%2f1.2733666&partnerID=40&md5=7022eb8a853bc4bc1d8c084929dc4822https://dx.doi.org/10.1063/1.2733666