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

  • 2017
2017
  • article
article2017Carlos L. Benavides-RiverosNektarios N. LathiotakisChristian SchillingMiguel A. L. Marques

Relating correlation measures: The importance of the energy gap

Carlos L. Benavides-Riveros, Nektarios N. Lathiotakis, Christian Schilling, Miguel A. L. Marques:
Physical Review A (2017)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85016587170&doi=10.1103%2fPhysRevA.95.032507&partnerID=40&md5=4bec85722ac7bd81d53b220ca6e29721https://dx.doi.org/10.1103/PhysRevA.95.032507
2017
  • article
article2017Pedro BorlidoConrad SteigemannNektarios N. LathiotakisMiguel A.L. MarquesSilvana Botti

Structural prediction of two-dimensional materials under strain

Pedro Borlido, Conrad Steigemann, Nektarios N. Lathiotakis, Miguel A.L. Marques, Silvana Botti:
2D Materials (2017)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030123071&doi=10.1088%2f2053-1583%2faa85c6&partnerID=40&md5=5f33e163d20bd7055966ac52e17d2b04https://dx.doi.org/10.1088/2053-1583/aa85c6
2017
  • article
article2017Carlos L. Benavides-RiverosNektarios N. LathiotakisMiguel A. L. Marques

Towards a formal definition of static and dynamic electronic correlations

Carlos L. Benavides-Riveros, Nektarios N. Lathiotakis, Miguel A. L. Marques:
Physical Chemistry Chemical Physics (2017)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85024364700&doi=10.1039%2fc7cp01137g&partnerID=40&md5=d0659b6a6b1f523dd3e012cdacffc3b1https://dx.doi.org/10.1039/c7cp01137g
  • 2016
2016
  • article
article2016Sabine KörbelDavid KammerlanderRafael Sarmiento-PérezClaudio AttaccaliteMiguel A.L. MarquesSilvana Botti

Erratum: Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation (Physical Review B - Condensed Matter and Materials Physics (2015) 91 (075134))

Sabine Körbel, David Kammerlander, Rafael Sarmiento-Pérez, Claudio Attaccalite, Miguel A.L. Marques, Silvana Botti:
Physical Review B (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84963723078&doi=10.1103%2fPhysRevB.93.159901&partnerID=40&md5=338ffa598d9cb2c01679ba7d1468b657https://dx.doi.org/10.1103/PhysRevB.93.159901
2016
  • article
article2016Jingming ShiWenwen CuiJosé A. Flores-LivasAlfonso San-MiguelSilvana BottiMiguel A.L. Marques

Investigation of new phases in the Ba-Si phase diagram under high pressure using ab initio structural search

Jingming Shi, Wenwen Cui, José A. Flores-Livas, Alfonso San-Miguel, Silvana Botti, Miguel A.L. Marques:
Physical Chemistry Chemical Physics (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84960532787&doi=10.1039%2fc5cp07962d&partnerID=40&md5=85550e56a2b29f6c7d815a015bfdf170https://dx.doi.org/10.1039/c5cp07962d
2016
  • article
article2016Wenwen CuiTiago F. T. CerqueiraSilvana BottiMiguel A. L. MarquesAlfonso San-Miguel

Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure

Wenwen Cui, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques, Alfonso San-Miguel:
Physical Chemistry Chemical Physics (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84979498462&doi=10.1039%2fc6cp03263j&partnerID=40&md5=29b80c5f84553a2fa405c72e02805385https://dx.doi.org/10.1039/c6cp03263j
2016
  • article
article2016Irais Valencia-JaimeRafael Sarmiento-PérezSilvana BottiMiguel A.L. MarquesM. AmslerS. GoedeckerAldo H. Romero

Novel crystal structures for lithium-silicon alloy predicted by minima hopping method

Irais Valencia-Jaime, Rafael Sarmiento-Pérez, Silvana Botti, Miguel A.L. Marques, M. Amsler, S. Goedecker, Aldo H. Romero:
Journal of Alloys and Compounds (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84942465866&doi=10.1016%2fj.jallcom.2015.09.101&partnerID=40&md5=7779e37cee7adc19d947dd147e6b2ba5https://dx.doi.org/10.1016/j.jallcom.2015.09.101
2016
  • article
article2016Tiago F.T. CerqueiraStéphane PailhèsRégis DebordValentina M. GiordanoRomain ViennoisJingming ShiSilvana BottiMiguel A.L. Marques

Prediction and Synthesis of a Non-Zintl Silicon Clathrate

Tiago F.T. Cerqueira, Stéphane Pailhès, Régis Debord, Valentina M. Giordano, Romain Viennois, Jingming Shi, Silvana Botti, Miguel A.L. Marques:
Chemistry of Materials (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84975070276&doi=10.1021%2facs.chemmater.6b00392&partnerID=40&md5=8664dfc15918dc9b1f23094c55fe2c8dhttps://dx.doi.org/10.1021/acs.chemmater.6b00392
2016
  • article
article2016Felix BalimaSylvie Le FlochChristophe AdessiTiago F.T. CerqueiraNicholas BlanchardRaúl ArenalAnnie BrûletMiguel A.L. MarquesSilvana BottiAlfonso San-Miguel

Radial collapse of carbon nanotubes for conductivity optimized polymer composites

Felix Balima, Sylvie Le Floch, Christophe Adessi, Tiago F.T. Cerqueira, Nicholas Blanchard, Raúl Arenal, Annie Brûlet, Miguel A.L. Marques, Silvana Botti, Alfonso San-Miguel:
Carbon (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84966351301&doi=10.1016%2fj.carbon.2016.05.004&partnerID=40&md5=bc8078f54e7152e8203c77102af5e8c7https://dx.doi.org/10.1016/j.carbon.2016.05.004
2016
  • article
article2016Stefan HartnauerSabine KörbelMiguel A. L. MarquesSilvana BottiPaul PistorRoland Scheer

Research Update: Stable single-phase Zn-rich Cu2ZnSnSe4 through in doping

Stefan Hartnauer, Sabine Körbel, Miguel A. L. Marques, Silvana Botti, Paul Pistor, Roland Scheer:
APL Materials (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84979737393&doi=10.1063%2f1.4953435&partnerID=40&md5=02fab07b0bd32784c48a975c853caff5https://dx.doi.org/10.1063/1.4953435
2016
  • article
article2016Sabine KörbelMiguel A. L. MarquesSilvana Botti

Stability and electronic properties of new inorganic perovskites from high-throughput: Ab initio calculations

Sabine Körbel, Miguel A. L. Marques, Silvana Botti:
Journal of Materials Chemistry C (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84964678877&doi=10.1039%2fc5tc04172d&partnerID=40&md5=8697e1c2588a3acc3999987626493997https://dx.doi.org/10.1039/c5tc04172d
2016
  • article
article2016Henning GlaweAntonio SannaE.K.U. GrossMiguel A.L. Marques

The optimal one dimensional periodic table: A modified Pettifor chemical scale from data mining

Henning Glawe, Antonio Sanna, E.K.U. Gross, Miguel A.L. Marques:
New Journal of Physics (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84989849236&doi=10.1088%2f1367-2630%2f18%2f9%2f093011&partnerID=40&md5=057deadf1e824a28994111a8b32a7badhttps://dx.doi.org/10.1088/1367-2630/18/9/093011
2016
  • article
article2016F. MunozM.G. VergnioryT. RauchJ. HenkE.V. ChulkovI. MertigS. BottiM.A.L. MarquesA.H. Romero

Topological Crystalline Insulator in a New Bi Semiconducting Phase

F. Munoz, M.G. Vergniory, T. Rauch, J. Henk, E.V. Chulkov, I. Mertig, S. Botti, M.A.L. Marques, A.H. Romero:
Scientific Reports (2016)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84959265554&doi=10.1038%2fsrep21790&partnerID=40&md5=dcdf0de6dbfbe14622f947ebdb679a83https://dx.doi.org/10.1038/srep21790
  • 2015
2015
  • article
article2015Torsten SchwarzMiguel A. L. MarquesSilvana BottiMarina MouselAlex RedingerSusanne SiebentrittOana Cojocaru-MirédinDierk RaabePyuck-Pa Choi

Detection of Cu2Zn5SnSe8 and Cu2Zn6SnSe9 phases in co-evaporated Cu2ZnSnSe4 thin-films

Torsten Schwarz, Miguel A. L. Marques, Silvana Botti, Marina Mousel, Alex Redinger, Susanne Siebentritt, Oana Cojocaru-Mirédin, Dierk Raabe, Pyuck-Pa Choi:
Applied Physics Letters (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84946122360&doi=10.1063%2f1.4934847&partnerID=40&md5=ea9e52b96c305d5704a4b32f8d073576https://dx.doi.org/10.1063/1.4934847
2015
  • article
article2015J.G. VilhenaE. RäsänenM.A.L. MarquesS. Pittalis

Erratum: Construction of the B88 Exchange-Energy Functional in Two Dimensions (J. Chem. Theory Comput. (2014) 10:5 (1837-1842) DOI: 10.1021/ct4010728)

J.G. Vilhena, E. Räsänen, M.A.L. Marques, S. Pittalis:
Journal of Chemical Theory and Computation (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84944049837&doi=10.1021%2facs.jctc.5b00860&partnerID=40&md5=7aef6aba7bba24cc6a52cbf3e149744chttps://dx.doi.org/10.1021/acs.jctc.5b00860
2015
  • article
article2015Rafael Sarmiento-PérezTiago F. T. CerqueiraSabine KörbelSilvana BottiMiguel A. L. Marques

Erratum: Prediction of Stable Nitride Perovskites (Chem. Mater. (2015) 27:17 (5957-5963) DOI: 10.1021/acs.chemmater.5b02026)

Rafael Sarmiento-Pérez, Tiago F. T. Cerqueira, Sabine Körbel, Silvana Botti, Miguel A. L. Marques:
Chemistry of Materials (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84947967365&doi=10.1021%2facs.chemmater.5b04125&partnerID=40&md5=4f7742b9a3f2ff77b61f4065aa3ab583https://dx.doi.org/10.1021/acs.chemmater.5b04125
2015
  • article
article2015Iris TheophilouNektarios N. LathiotakisMiguel A. L. MarquesNicole Helbig

Generalized Pauli constraints in reduced density matrix functional theory

Iris Theophilou, Nektarios N. Lathiotakis, Miguel A. L. Marques, Nicole Helbig:
Journal of Chemical Physics (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84928316242&doi=10.1063%2f1.4918346&partnerID=40&md5=47cd43879aef05b9802bbd014c873083https://dx.doi.org/10.1063/1.4918346
2015
  • article
article2015Tiago F. T. CerqueiraSun LinMaximilian AmslerStefan GoedeckerSilvana BottiMiguel A. L. Marques

Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural Prediction

Tiago F. T. Cerqueira, Sun Lin, Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A. L. Marques:
Chemistry of Materials (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84937230943&doi=10.1021%2facs.chemmater.5b00716&partnerID=40&md5=413bebd05aabf67c8ea17cc717cbe5a6https://dx.doi.org/10.1021/acs.chemmater.5b00716
2015
  • article
article2015Joaquim Jornet-SomozaJoseba Alberdi-RodriguezBruce F. MilneXavier AndradeMiguel A. L. MarquesFernando NogueiraMicael J. T. OliveiraJames J. P. StewartAngel Rubio

Insights into colour-tuning of chlorophyll optical response in green plants

Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, Miguel A. L. Marques, Fernando Nogueira, Micael J. T. Oliveira, James J. P. Stewart, Angel Rubio:
Physical Chemistry Chemical Physics (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84943623335&doi=10.1039%2fc5cp03392f&partnerID=40&md5=2e05cbb3b5c4e37e931fbd6ece88f083https://dx.doi.org/10.1039/c5cp03392f
2015
  • article
article2015Maximilian AmslerSilvana BottiMiguel A. L. MarquesThomas J. LenoskyStefan Goedecker

Low-density silicon allotropes for photovoltaic applications

Maximilian Amsler, Silvana Botti, Miguel A. L. Marques, Thomas J. Lenosky, Stefan Goedecker:
Physical Review B - Condensed Matter and Materials Physics (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84937856023&doi=10.1103%2fPhysRevB.92.014101&partnerID=40&md5=b6dce35e80f1c9f24c8e4c7367c72803https://dx.doi.org/10.1103/PhysRevB.92.014101
2015
  • article
article2015Tiago F. T. CerqueiraRafael Sarmiento-PérezMaximilian AmslerF. NogueiraSilvana BottiMiguel A. L. Marques

Materials Design On-the-Fly

Tiago F. T. Cerqueira, Rafael Sarmiento-Pérez, Maximilian Amsler, F. Nogueira, Silvana Botti, Miguel A. L. Marques:
Journal of Chemical Theory and Computation (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84938927649&doi=10.1021%2facs.jctc.5b00212&partnerID=40&md5=b960c3a74e3717e5b71d5e531e7dbe5dhttps://dx.doi.org/10.1021/acs.jctc.5b00212
2015
  • article
article2015Rafael Sarmiento-PérezTiago F. T. CerqueiraIrais Valencia-JaimeMaximilian AmslerStefan GoedeckerAldo H. RomeroSilvana BottiMiguel A. L. Marques

Novel phases of lithium-aluminum binaries from first-principles structural search

Rafael Sarmiento-Pérez, Tiago F. T. Cerqueira, Irais Valencia-Jaime, Maximilian Amsler, Stefan Goedecker, Aldo H. Romero, Silvana Botti, Miguel A. L. Marques:
Journal of Chemical Physics (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84923887206&doi=10.1063%2f1.4905141&partnerID=40&md5=e8b9189c5683844f3c76d3e1f6e9dfddhttps://dx.doi.org/10.1063/1.4905141
2015
  • article
article2015Sabine KörbelDavid KammerlanderRafael Sarmiento-PérezClaudio AttaccaliteMiguel A. L. MarquesSilvana Botti

Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation

Sabine Körbel, David Kammerlander, Rafael Sarmiento-Pérez, Claudio Attaccalite, Miguel A. L. Marques, Silvana Botti:
Physical Review B - Condensed Matter and Materials Physics (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84924045575&doi=10.1103%2fPhysRevB.91.075134&partnerID=40&md5=ffcc24ff739328a40757b71fadef8e2fhttps://dx.doi.org/10.1103/PhysRevB.91.075134
2015
  • article
article2015Rafael Sarmiento-PérezSilvana BottiMiguel A. L. Marques

Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation

Rafael Sarmiento-Pérez, Silvana Botti, Miguel A. L. Marques:
Journal of Chemical Theory and Computation (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84939163225&doi=10.1021%2facs.jctc.5b00529&partnerID=40&md5=e7422b8b51b82c27385ddb5fe2e57c25https://dx.doi.org/10.1021/acs.jctc.5b00529
2015
  • article
article2015Rafael Sarmiento-PérezTiago F. T. CerqueiraSabine KörbelSilvana BottiMiguel A. L. Marques

Prediction of Stable Nitride Perovskites

Rafael Sarmiento-Pérez, Tiago F. T. Cerqueira, Sabine Körbel, Silvana Botti, Miguel A. L. Marques:
Chemistry of Materials (2015)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84941033078&doi=10.1021%2facs.chemmater.5b02026&partnerID=40&md5=3a25b6ed133f8f2c99fbbbd679cddab5https://dx.doi.org/10.1021/acs.chemmater.5b02026