Márton Vörös

Aneesur Rahman Fellow, Argonne National Lab. & Visiting Scientist, University of Chicago


  • Ph.D. in Physics, Budapest University of Technology and Economics, Budapest, Hungary (2009 - 2013)
  • M.Sc. in Engineering Physics, Budapest University of Technology and Economics, Budapest, Hungary (2009)

Professional Affiliations

  • American Physical Society (APS)
  • Materials Research Society (MRS)
  • Institute of Electrical and Electronics Engineers (IEEE)

Areas of Interest

  • Third generation solar cells
  • Optical properties and electron dynamics in semiconductor nanostructures
  • Density functional theory, time-dependent density functional theory
  • Many body perturbation theory: GW, BSE approaches, electron-phonon coupling


  • 2015 – present, Aneesur Rahman Named Fellow, Argonne National Laboratory & Visiting Scientist, University of Chicago
  • 2014 - 2015, Postdoctoral Researcher, The University of Chicago
  • 2013 - 2014, Postdoctoral Researcher, University of California, Davis


  • Matthew Goldey, Nicholas Brawand, Márton Vörös, Giulia Galli
    Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory
    J. Chem. Theory Comput., Accepted (2017)
  • Federico Giberti, Márton Vörös, Giulia Galli
    Design of heterogeneous chalcogenide nanostructures with pressure-tunable gaps and without electronic trap states
    Nano Lett. 17 (4), pp 2547–2553 (2017)
  • Daniel M. Kroupa*, Márton Vörös*, Nicholas P. Brawand, Brett W. McNichols, Elisa M. Miller, Jing Gu, Arthur J. Nozik, Alan Sellinger, Giulia Galli, Matthew C. Beard
    Tuning Colloidal Quantum Dot Band Edge Positions through Solution-Phase Surface Chemistry Modification
    Nature Comms., accepted (*These authors contributed equally to this work)
  • Zachary Goldsmith, Aparna Harshan, James Gerken, Márton Vörös, Giulia Galli, Shannon Stahl, Sharon Hammes-Schiffer
    Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry
    Proc. Nat. Acad. Sci. USA 114, pp 3050-3055 (2017)
  • Nicholas Brawand, Matthew Goldey, Márton Vörös, and Giulia Galli
    Defect states and charge transport in quantum dot solids
    Chem. Mater. 29 (3), pp. 1255-1262 (2017)
  • Márton Vörös, Nicholas Brawand, and Giulia Galli
    Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles
    Chem. Mater. 29 (6), pp 2485–2493 (2017)
  • Nicholas Brawand, Márton Vörös, Marco Govoni, and Giulia Galli
    Generalization of dielectric dependent hybrid functionals to finite systems
    Phys. Rev. X 6, 041002 (2016)
  • Stefan Wippermann, Yuping He, Márton Vörös, and Giulia Galli
    Novel Silicon phases and nanostructures for solar energy conversion
    Appl. Phys. Rev. 3, 040807 (2016)
  • Adam Gali, Tamás Demján, Márton Vörös, Gergő Thiering, Elena Cannuccia, Andrea Marini
    Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids
    Nat. Commun. 7, 11327 (2016)
  • Márton Vörös, Giulia Galli, and Gergely T. Zimanyi
    Colloidal Nanoparticles for Intermediate Band Solar Cells
    ACS Nano 9, 6882 (2015)
  • Nicholas P. Brawand, Márton Vörös, and Giulia Galli
    Surface Dangling Bonds Are a Cause of Type-II Blinking in Si Nanoparticles
    Nanoscale 7, 3737 (2015)
  • Tamás Demján, Márton Vörös, Maurizia Palummo, and Adam Gali
    Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory
    J. Chem. Phys. 141, 064308 (2014)
  • Dario Rocca, Márton Vörös, Adam Gali, and Giulia Galli
    Ab initio optoelectronic properties of silicon nanoparticles: Excitation energies, sum rules, and Tamm-Dancoff approximation
    J. Comp. Theor. Chem. 10, 3290 (2014)
  • Márton Vörös, Stefan Wippermann, Bálint Somogyi, Adam Gali, Dario Rocca, Giulia Galli, and Gergely T. Zimanyi
    Germanium nanoparticles with non-diamond core structures for solar energy conversion
    J. Mater. Chem. A 2, 9820 (2014)
  • Stefan Wippermann, Márton Vörös, Adam Gali, Francois Gygi, Gergely T. Zimanyi, and Giulia Galli
    Solar Nanocomposites with Complementary Charge Extraction Pathways for Electrons and Holes: Si Embedded in ZnS
    Phys. Rev. Lett. 112, 106801 (2014)
  • Igor I. Vlasov, Andrey A. Shiryaev, Torsten Rendler, Steffen Steinert, Sang-Yun Lee, Denis Antonov, Márton Vörös, Fedor Jelezko, Anatoly V. Fisenko, Lyubov' F. Semjonova, Johannes Biskupek, Ute Kaiser, Oleg I. Lebedev, Ilmo Sildos, Philip. R. Hemmer, Vitaly I Konov, Adam Gali and Jörg Wrachtrup
    Molecular-sized fluorescent nanodiamonds
    Nat. Nanotechnol. 9, 54 (2014)
  • P.Siyushev, H.Pinto, Márton Vörös, A.Gali, F.Jelezko and J.Wrachtrup
    Optically Controlled Switching of the Charge State of a Single Nitrogen-Vacancy Center in Diamond at Cryogenic Temperatures
    Phys. Rev. Lett. 110, 167402 (2013)
  • Márton Vörös, Dario Rocca, Giulia Galli, Gergely T. Zimanyi, and Adam Gali
    Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study
    Phys. Rev. B 87, 155402 (2013)
  • Stefan Wippermann, Márton Vörös, Dario Rocca, Adam Gali, Gergely T. Zimanyi, and Giulia Galli
    High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion
    Phys. Rev. Lett. 110, 046804 (2013)
  • Márton Vörös, Tamás Demjén, Tibor Szilvási, Adam Gali
    Tuning the optical gap of nanometer-size diamond cages by sulfurization: A time-dependent density functional study
    Phys. Rev. Lett. 108, 267401 (2012)
  • Márton Vörös, Adam Gali
    Electronic and optical properties of silicon carbide nanotubes and nanoparticles studied by density functional theory calculations: effect of doping and environment
    Journal of Computational and Theoretical Nanoscience 9, 1906 (2012)
  • Márton Vörös, Adam Gali, Efthimios Kaxiras, Thomas Frauenheim, Jan Knaup
    Identification of defects at the interface between 3C-SiC quantum dots and a SiO2 embedding matrix
    Phys. Status Solidi B 249, 360 (2012)
  • Márton Vörös, Tamás Demjén, Adam Gali
    The Absorptin of Diamondoids from Time-dependent Density Functional Calculations
    MRS Spring Meeting Proceedings, 1370: mrss11-1370-yy02-07 (2011)
  • Márton Vörös, Péter Deák, Thomas Frauenheim, Adam Gali
    Time-dependent density functional calculations on hydrogenated silicon carbide nanocrystals
    Mater. Sci. Forum 679 - 680, 516 (2011)
  • Márton Vörös, Péter Deák, Thomas Frauenheim, Adam Gali
    Influence of oxygen on the absorption of silicon carbide nanoparticles
    Mater. Sci. Forum 679 - 680, 520 (2011)
  • Márton Vörös, Péter Deák, Thomas Frauenheim, Adam Gali
    The absorption of oxygenated silicon carbide nanoparticles
    J. Chem. Phys. 133, 064705 (2010)
  • Márton Vörös, Péter Deák, Thomas Frauenheim, Adam Gali
    The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations
    Appl. Phys. Lett. 96, 051909 (2010)
  • Jan Knaup, Márton Vörös, Péter Deák, Adam Gali, Thomas Frauenheim, Efthimios Kaxiras
    Annealing Simulations to Determine the Matrix Interface Structure of SiC Quantum Dots Embedded in SiO2
    physica status solidi (c) 7, 407 (2010)
  • Adam Gali, Márton Vörös, Dario Rocca, Gergely T. Zimanyi and Giulia Galli
    High Energy Excitations in Silicon Nanoparticles
    Nano Lett. 9, 3780 (2009)
  • Márton Vörös and Adam Gali
    Optical absorption of diamond nanocrystals from ab initio density functional calculations
    Phys. Rev. B 80, 161411(R) (2009)