Ralph Gebauer

Permanent Scientific Staff
Senior Research Scientist
Ralph Gebauer
Condensed Matter and Statistical Physics
+39 040 2240 4344
rgebauer@ictp.it
+39 040 2240 4344
rgebauer@ictp.it
LB-224
Personal Web Page
0000-0002-7918-0790

Ralph Gebauer

Senior Research Scientist, Condensed Matter and Statistical Physics Section
Coordinator, Materials for Renewable Energy
Head, Office of Associates & Federated Institutes

BIOGRAPHY:

2006-present: Staff researcher at ICTP Trieste
2002-2006: Tenure-track researcher at ICTP Trieste
 

Publications

Journal article
2014
TurboTDDFT 2.0 - Hybrid functionals and new algorithms within time-dependent density-functional perturbation theory
Computer Physics Communications (2014)
Ge, X. | Binnie, S.J. | Rocca, D. | Gebauer, R. | Baroni, S.
Journal article
2014
Defective α-Fe<inf>2</inf>O<inf>3</inf>(0001): An ab Initio Study
ChemPhysChem (2014)
Nguyen, M.-T. | Seriani, N. | Gebauer, R.
Journal article
2013
Water adsorption and dissociation on α-Fe2O 3(0001): PBE+U calculations
Journal of Chemical Physics (2013)
Nguyen, M.-T. | Seriani, N. | Gebauer, R.
Preprint
2013
Electron energy-loss and inelastic X-ray scattering cross sections from time-dependent density-functional perturbation theory
Iurii Timrov | Nathalie Vast | Ralph Gebauer | Stefano Baroni
Preprint
2013
A favorably-scaling natural-orbital functional theory based on higher-order occupation probabilities
Ralph Gebauer | Morrel H. Cohen | Roberto Car
Journal article
2013
Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory
Physical Review B - Condensed Matter and Materials Physics (2013)
Timrov, I. | Vast, N. | Gebauer, R. | Baroni, S.
Journal article
2013
Water adsorption and dissociation on α-Fe<inf>2</inf>O <inf>3</inf>(0001): PBE+U calculations
Journal of Chemical Physics (2013)
Nguyen, M.-T. | Seriani, N. | Gebauer, R.
Journal article
2012
Erratum: Functional K-doping of eumelanin thin films: Density functional theory and soft x-ray spectroscopy experiments in the frame of the macrocyclic protomolecule model (The Journal of Chemical Physics (2012) 136 204703))
Journal of Chemical Physics (2012)
Borghetti, P. | Ghosh, P. | Castellarin-Cudia, C. | Goldoni, A. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Drera, G. | Sangaletti, L.
Journal article
2012
Functional K-doping of eumelanin thin films: Density functional theory theory and soft x-ray spectroscopy experiments in the frame of the macrocyclic protomolecule model
Journal of Chemical Physics (2012)
Borghetti, P. | Ghosh, P. | Castellarin-Cudia, C. | Goldoni, A. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Drera, G. | Sangaletti, L.
Journal article
2012
Optical properties of an organic dye from time-dependent density functional theory with explicit solvent: The case of alizarin
Journal of Chemical Physics (2012)
Douma, D.H. | M'Passi-Mabiala, B. | Gebauer, R.
Journal article
2012
Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems
Physical Review B - Condensed Matter and Materials Physics (2012)
Rocca, D. | Ping, Y. | Gebauer, R. | Galli, G.
Journal article
2011
Simulating dye-sensitized TiO2 heterointerfaces in explicit solvent: Absorption spectra, energy levels, and dye desorption
Journal of Physical Chemistry Letters (2011)
De Angelis, F. | Fantacci, S. | Gebauer, R.
Journal article
2011
Optical properties of dye sensitized tio2 nanowires from time-dependent density functional theory
Physica Status Solidi - Rapid Research Letters (2011)
Hartmann Douma, D. | Gebauer, R.
Journal article
2011
Dielectric and thermal effects on the optical properties of natural dyes: A case study on solvated cyanin
Journal of the American Chemical Society (2011)
Malcioǧlu, O.B. | Calzolari, A. | Gebauer, R. | Varsano, D. | Baroni, S.
Journal article
2011
Optical properties of dye sensitized tio<inf>2</inf> nanowires from time-dependent density functional theory
Physica Status Solidi - Rapid Research Letters (2011)
Hartmann Douma, D. | Gebauer, R.
Journal article
2011
Simulating dye-sensitized TiO<inf>2</inf> heterointerfaces in explicit solvent: Absorption spectra, energy levels, and dye desorption
Journal of Physical Chemistry Letters (2011)
De Angelis, F. | Fantacci, S. | Gebauer, R.
Journal article
2011
Sustainable energy: How quantum chemistry can help
Europhysics News (2011)
Gebauer, R.
Journal article
2011
TurboTDDFT - A code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Computer Physics Communications (2011)
Malcioǧlu, O.B. | Gebauer, R. | Rocca, D. | Baroni, S.
Journal article
2011
A combined molecular dynamics and computational spectroscopy study of a dye-sensitized solar cell
New Journal of Physics (2011)
Gebauer, R. | De Angelis, F.
Journal article
2010
Effects of potassium on the supramolecular structure and electronic properties of eumelanin thin films
Langmuir (2010)
Borghetti, P. | Goldoni, A. | Castellarin-Cudia, C. | Casalis, L. | Herberg, F. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Ghosh, P. | Sangaletti, L.
Journal article
2010
Harnessing molecular excited states with Lanczos chains
Journal of Physics Condensed Matter (2010)
Baroni, S. | Gebauer, R. | Malcioglu, O.B. | Saad, Y. | Umari, P. | Xian, J.
Journal article
2010
Computational approaches to charge transfer excitations in a zinc tetraphenylporphyrin and C70 complex
Journal of Chemical Physics (2010)
Ghosh, P. | Gebauer, R.
Journal article
2009
Mesoscopic donor - Acceptor multilayer by ultrahigh-vacuum codeposition of Zn-tetraphenyl-porphyrin and C70
Journal of the American Chemical Society (2009)
Vilmercati, P. | Castellarin-Cudia, C. | Gebauer, R. | Ghosh, P. | Lizzit, S. | Petaccia, L. | Cepek, C. | Larciprete, R. | Verdini, A. | Floreanos, L. | Morgante, A. | Goldoni, A.
Journal article
2009
Time-dependent density functional theory study of squaraine dye-sensitized solar cells
Chemical Physics Letters (2009)
Rocca, D. | Gebauer, R. | De Angelis, F. | Nazeeruddin, M.K. | Baroni, S.
Journal article
2009
Magnetism and vibrations in the phase ε{lunate} of oxygen
Solid State Communications (2009)
Anh Pham, T. | Gebauer, R. | Scandolo, S.
Journal article
2009
Mesoscopic donor - Acceptor multilayer by ultrahigh-vacuum codeposition of Zn-tetraphenyl-porphyrin and C<inf>70</inf>
Journal of the American Chemical Society (2009)
Vilmercati, P. | Castellarin-Cudia, C. | Gebauer, R. | Ghosh, P. | Lizzit, S. | Petaccia, L. | Cepek, C. | Larciprete, R. | Verdini, A. | Floreanos, L. | Morgante, A. | Goldoni, A.
Journal article
2009
Polymerization effects and localized electronic states in condensed-phase eumelanin
Physical Review B - Condensed Matter and Materials Physics (2009)
Sangaletti, L. | Borghetti, P. | Ghosh, P. | Pagliara, S. | Vilmercati, P. | Castellarin-Cudia, C. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Goldoni, A.
Journal article
2009
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
Journal of Physics Condensed Matter (2009)
Giannozzi, P. | Baroni, S. | Bonini, N. | Calandra, M. | Car, R. | Cavazzoni, C. | Ceresoli, D. | Chiarotti, G.L. | Cococcioni, M. | Dabo, I. | Dal Corso, A. | De Gironcoli, S. | Fabris, S. | Fratesi, G. | Gebauer, R. ...
Journal article
2008
Application of Lanczos-based time-dependent density-functional theory approach to semiconductor nanoparticle quantum dots
European Physical Journal B (2008)
Walker, B.G. | Hendy, S.C. | Gebauer, R. | Tilley, R.D.
Journal article
2008
Density-functional perturbation theory goes time-dependent
AAPP Atti della Accademia Peloritana dei Pericolanti, Classe di Scienze Fisiche, Matematiche e Naturali (2008)
Baroni, S. | Rocca, D. | Gebauer, R.

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