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

  • 2008
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
  • 2006
2006
  • article
article2006Daniele VarsanoRosa Di FeliceMiguel A. L. MarquesAngel Rubio

A TDDFT study of the excited states of DNA bases and their assemblies

Daniele Varsano, Rosa Di Felice, Miguel A. L. Marques, Angel Rubio:
Journal of Physical Chemistry B (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33646260931&doi=10.1021%2fjp056120g&partnerID=40&md5=4083faa76a1bae868d4ba100d2de44b3https://dx.doi.org/10.1021/jp056120g
2006
  • article
article2006A. SannaC. FranchiniA. FlorisG. ProfetaN.N. LathiotakisM. LüdersM.A.L. MarquesE.K.U. GrossA. ContinenzaS. Massidda

Ab initio prediction of pressure-induced superconductivity in potassium

A. Sanna, C. Franchini, A. Floris, G. Profeta, N.N. Lathiotakis, M. Lüders, M.A.L. Marques, E.K.U. Gross, A. Continenza, S. Massidda:
Physical Review B - Condensed Matter and Materials Physics (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645815904&doi=10.1103%2fPhysRevB.73.144512&partnerID=40&md5=a5cd10be8564b3510fdb3d00f9fafa8dhttps://dx.doi.org/10.1103/PhysRevB.73.144512
2006
  • article
article2006A. ContinenzaG. ProfetaA. FlorisC. FranchiniS. MassiddaN.N. LathiotakisM.A.L. MarquesM. LüdersE.K.U. Gross

Ab-initio computation of superconducting properties of elemental superconductors and MgB2

A. Continenza, G. Profeta, A. Floris, C. Franchini, S. Massidda, N.N. Lathiotakis, M.A.L. Marques, M. Lüders, E.K.U. Gross:
Journal of Superconductivity (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33744523030&doi=10.1007%2fs10948-005-0052-8&partnerID=40&md5=44d45d1d1e09313f29609dbdb791fd07https://dx.doi.org/10.1007/s10948-005-0052-8
2006
  • article
article2006X. LopezM.A.L. Marques

Biochromophores

X. Lopez, M.A.L. Marques:
Lecture Notes in Physics (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33749146539&doi=10.1007%2f3-540-35426-3_22&partnerID=40&md5=ceb1d93600aaf573879f3dd913b17a3ehttps://dx.doi.org/10.1007/3-540-35426-3_22
2006
  • article
article2006Miguel A. L. MarquesMayeul D'AvezacFrancesco Mauri

Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations

Miguel A. L. Marques, Mayeul D'Avezac, Francesco Mauri:
Physical Review B - Condensed Matter and Materials Physics (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645383282&doi=10.1103%2fPhysRevB.73.125433&partnerID=40&md5=4b536c6d7781094f75ee0e3aae786378https://dx.doi.org/10.1103/PhysRevB.73.125433
2006
  • article
article2006Alberto CastroHeiko AppelMicael OliveiraCarlo A. RozziXavier AndradeFlorian LorenzenM.A.L. MarquesE.K.U. GrossAngel Rubio

Octopus: A tool for the application of time-dependent density functional theory

Alberto Castro, Heiko Appel, Micael Oliveira, Carlo A. Rozzi, Xavier Andrade, Florian Lorenzen, M.A.L. Marques, E.K.U. Gross, Angel Rubio:
Physica Status Solidi (B) Basic Research (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33747601440&doi=10.1002%2fpssb.200642067&partnerID=40&md5=2d8ddb4b1f7437dabb9d28c44d10daa5https://dx.doi.org/10.1002/pssb.200642067
2006
  • article
article2006A. CastroM.A.L. Marques

Propagators for the time-dependent Kohn-Sham equations

A. Castro, M.A.L. Marques:
Lecture Notes in Physics (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33749129177&doi=10.1007%2f3-540-35426-3_12&partnerID=40&md5=8dba539a41d1342e3244c1b5b87e9309https://dx.doi.org/10.1007/3-540-35426-3_12
2006
  • article
article2006G. ProfetaC. FranchiniN.N. LathiotakisA. FlorisA. SannaM.A.L. MarquesM. LüdersS. MassiddaE.K.U. GrossA. Continenza

Superconductivity in lithium, potassium, and aluminum under extreme pressure: A first-principles study

G. Profeta, C. Franchini, N.N. Lathiotakis, A. Floris, A. Sanna, M.A.L. Marques, M. Lüders, S. Massidda, E.K.U. Gross, A. Continenza:
Physical Review Letters (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33144485117&doi=10.1103%2fPhysRevLett.96.047003&partnerID=40&md5=627dea56355c1717804f83e7b9904530https://dx.doi.org/10.1103/PhysRevLett.96.047003
2006
  • article
article2006M.A.L. MarquesA. Rubio

Time versus frequency space techniques

M.A.L. Marques, A. Rubio:
Lecture Notes in Physics (2006)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33749158035&doi=10.1007%2f3-540-35426-3_15&partnerID=40&md5=0c0ef6aeb21a96823fbad0efda1068d3https://dx.doi.org/10.1007/3-540-35426-3_15
  • 2005
2005
  • article
article2005R. CaudilloH.E. TroianiM. Miki-YoshidaM.A.L. MarquesA. RubioM.J. Yacaman

A viable way to tailor carbon nanomaterials by irradiation-induced transformations

R. Caudillo, H.E. Troiani, M. Miki-Yoshida, M.A.L. Marques, A. Rubio, M.J. Yacaman:
Radiation Physics and Chemistry (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-21344455939&doi=10.1016%2fj.radphyschem.2004.10.003&partnerID=40&md5=0bc41731d8cee8667638bbf76de4110chttps://dx.doi.org/10.1016/j.radphyschem.2004.10.003
2005
  • article
article2005M. LüdersM.A.L. MarquesN.N. LathiotakisA. FlorisG. ProfetaL. FastA. ContinenzaS. MassiddaE.K.U. Gross

Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals

M. Lüders, M.A.L. Marques, N.N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, E.K.U. Gross:
Physical Review B - Condensed Matter and Materials Physics (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33644949914&doi=10.1103%2fPhysRevB.72.024545&partnerID=40&md5=9f4b95be5d112420fd73f6dedd24190ahttps://dx.doi.org/10.1103/PhysRevB.72.024545
2005
  • article
article2005M.A.L. MarquesM. LüdersN.N. LathiotakisG. ProfetaA. FlorisL. FastA. ContinenzaE.K.U. GrossS. Massidda

Ab initio theory of superconductivity. II. Application to elemental metals

M.A.L. Marques, M. Lüders, N.N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E.K.U. Gross, S. Massidda:
Physical Review B - Condensed Matter and Materials Physics (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-33749159403&doi=10.1103%2fPhysRevB.72.024546&partnerID=40&md5=a293ae593622b25370b4e87313fdde21https://dx.doi.org/10.1103/PhysRevB.72.024546
2005
  • book
book2005S. KurthM.A.L. MarquesE.K.U. Gross

Density-Functional Theory

S. Kurth, M.A.L. Marques, E.K.U. Gross:
Encyclopedia of Condensed Matter Physics (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84898631527&doi=10.1016%2fB0-12-369401-9%2f00445-9&partnerID=40&md5=c4af7a81272f93314198aa807a9b9092https://dx.doi.org/10.1016/B0-12-369401-9/00445-9
2005
  • article
article2005Xabier LópezMiguel A. L. MarquesAlberto CastroAngel Rubio

Optical absorption of the blue fluorescent protein: A first-principles study

Xabier López, Miguel A. L. Marques, Alberto Castro, Angel Rubio:
Journal of the American Chemical Society (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-24644512135&doi=10.1021%2fja050935l&partnerID=40&md5=afd4be9362a694f2a8013690889f88ebhttps://dx.doi.org/10.1021/ja050935l
2005
  • article
article2005A. FlorisG. ProfetaN.N. LathiotakisM. LüdersM.A.L. MarquesC. FranchiniE.K.U. GrossA. ContinenzaS. Massidda

Superconducting properties of MgB2 from first principles

A. Floris, G. Profeta, N.N. Lathiotakis, M. Lüders, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, S. Massidda:
Physical Review Letters (2005)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-18144403852&doi=10.1103%2fPhysRevLett.94.037004&partnerID=40&md5=5f2eb857728d5b03da57245581a2592ahttps://dx.doi.org/10.1103/PhysRevLett.94.037004