At the centre of my research interests are fundamental problems of the equilibrium and non-equilibrium electronic-structure of condensed matter. More specifically, I study various aspects of the transport of electrons on atomic scale - the quantum transport.

Collaboration:

• European Theoretical Spectroscopy Facility (ETSF)

• Quantum transport
  • M. Konôpka and P. Bokes, "Wavepacket representation of leads for efficient simulations of time-dependent electronic transport", arxiv:1403.2223 [cond-mat.mtrl-sci], Phys. Rev. B 89, 125424 (2014).
  • M. Zemanová Diešková, I. Štich, P. Bokes, "Rigidity of the conductance of anchored dithioazobenzene opto-mechanical switch", arxiv:1305.6706 [cond-mat.mtrl-sci], Phys. Rev. B 87, 245418 (2013).
  • M. Zemanová Diešková, A. Ferretti, P. Bokes, "Tunneling through Al/AlOx/Al junction: analytical models and first principles simulations", arxiv:1301.6536 [cond-mat.mtrl-sci], Phys. Rev. B 87, 195107 (2013).
  • M. Konôpka and P. Bokes, "Stroboscopic wave packet description of time-dependent currents through ring-shaped nanostructures ", arXiv:1301.6664 [cond-mat.mtrl-sci], European Physical Journal B 86, 114 (2013).
  • P. Bokes, "Time operators in stroboscopic wavepacket basis and the time scales in tunneling", arXiv:1012.1013v1 [quant-ph], Phys. Rev. A 83, 032104 (2011).
  • P. Bokes and F. Horváth, "Edge-induced spin polarization in two-dimensional electron gas", cond-mat/1001.0720, Phys. Rev. B 81, 125302 (2010).
  • P. Bokes, "Wavepacket basis for time-dependent processes and its application to relaxation in resonant electronic transport" cond-mat/0902.1600, Phys. Chem. Chem. Phys. 11, 4579-4585 (2009).
  • Matthieu J. Verstraete, P. Bokes, R. W. Godby, "First-Principles conductance of nanoscale junctions from the polarizability of finite systems" cond-mat/0812.4205, J. Chem. Phys. 130, 124715 (2009).
  • P. Bokes, F. Corsetti, and R. W. Godby, "Stroboscopic wavepacket description of non-equilibrium many-electron problems", cond-mat/0803.2448, Phys. Rev. Lett. 101, 046402 (2008)
  • J. Jung, P. Bokes, and R. W. Godby, "Comment on ``Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems'' ", cond-mat/0706.0140, Phys. Rev. Lett. 98, 259701 (2007).
  • P. Bokes, J. Jung, and R. W. Godby, "Ab-initio formulation of the 4-point conductance of interacting electronic systems", cond-mat/0705.1568, Phys. Rev. B 76, 125433 (2007).
  • H. Mera, P. Bokes, and R. W. Godby, "Hartree-Fock Theory of a Current-Carrying Electron Gas", Phys. Rev. B 76, 125319 (2007), cond-mat/0609271
  • P. Bokes, "Dynamics of Electrons and Ab-Initio Modeling of Quantum Transport", Proceeding from the 15th Conference of the Slovak Physical Society (2006), cond-mat/0608600
  • P. Bokes, J. Jung, and R. W. Godby, "Quantum conductance of homogeneous and inhomogeneous interacting electron systems", cond-mat/0604317 (2006).
  • P. Bokes, H. Mera, and R. W. Godby, "Current-constraining variational approaches to quantum transport", cond-mat/0507448, Phys. Rev. B 72, 165425 (2005).
  • H.Mera, P.Bokes and R.W.Godby, "Asymptotic self-consistency in quantum transport calculations", cond-mat/0501667, Phys. Rev. B 72, 085311 (2005).
  • P.Bokes and R.W.Godby, "Conductance and polarization in quantum junctions", cond-mat/0403204, Phys. Rev. B 69, 245420 (2004).
  • P.Bokes and R.W.Godby, "Maximum-entropy theory of steady-state quantum transport", cond-mat/0301485, Phys. Rev. B 68, 125414 (2003).
• Ab-initio many-body total energy calculations
  • W. Nelson, P. Bokes, Patrick Rinke and R. W. Godby, "Self-interaction in Green's-function theory of the hydrogen atom", Phys. Rev. A 75, 032505 (2007), cond-mat/0701592
  • M. Dieskova, M. Konopka, and P. Bokes, "Atomic and electronic structure of ultra-thin Al/AlOx/Al interfaces", Surf. Science 601, 4134 (2007), doi:10.1016/j.susc.2007.04.056, cond-mat/0608718.
  • P.Bokes, I.Stich, and L.Mitas, "Ground-state reconstruction of the Si(0 0 1) surface: symmetric versus buckled dimers", Chem.Phys.Lett. 362 559-566 (2002).
  • P.Bokes, I.Stich, and L.Mitas, "Electron correlation effects in ionic hydrogen clusters", Int.J.Quant.Chem. 83 86-95 (2001)
  • P.Bokes, I.Stich and L.Mitas, "Quantum Monte Carlo for ab-initio calculations" in Multiscale Computational Methods in Chemistry and Physics, Volume 177 NATO Science Series: Series III Computer and Systems Sciences, Edited by: A. Brandt, J. Bernholc and K. Binder, IOS Press 2001.
• The Charged Excitons(Trions) in Quantum Wells
• P. Bokes and H. Munekata, "The Effect of Excess Electrons on Excitons in Quantum Well", e-print (1999)