Research interests

  • Theoretical "Surface Science"
  • Electronic structure theory
  • Nuclear and electron dynamics
  • Theoretical photophysics and -chemistry

Research Units in UniSysCat

Awards (selection)

Since 2017 Advisory Board Member, "Centro de Física de Materiales (CFM)", San Sebastián, Spain
2017-2020 Elected 'Fachkollegiat' of Deutsche Forschungsgemeinschaft (German Research Council, DFG), "Fachkollegium Festkörper- und Oberflächenchemie: Theorie und Modellierung"
2011-2017 Scienti c Board Member, "High-Performance Computing in Northern Germany" (HLRN)
2004-2008 Elected 'Fachkollegiat' of Deutsche Forschungsgemeinschaft (German Research Council, DFG), "Fachkollegium Festkörper- und Oberflächenchemie: Theorie und Modellierung"
1991-1993 Postdoctoral fellowships of Alexander-von-Humboldt foundation (Feodor-Lynen) and Deutsche Forschungsgemeinschaft (DFG)
1984-1988 Fellowships of "Studienstiftung des Deutschen Volkes"

Prof. Dr. Peter Saalfrank
Institut für Chemie
Universität Potsdam
Karl-Liebknecht-Str. 24-25
D-14476 Potsdam
+49 331 977 5232
+49 331 977 5058

Publications (selection)

M. Nest, T. Klamroth, P. Saalfrank, The Multi-Con gurational Time-Dependent Hartree-Fock Method for Quantum Chemical Calculations, The Journal of Chemical Physics 2005, 122, 124102.

C. Neiss, P. Saalfrank, M. Parac, S. Grimme: Quantum Chemical Calculation of Flavin-related Molecules, The Journal of Physical Chemistry A 2006, 107, 140.

P. Saalfrank: Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces. Chemical reviews 2007, 106, 4116.

C. Nacci, K. Zenichowski, J. Dokic, T. Klamroth, S. Fölsch, and P. Saalfrank: Current versus Temperature-induced Switching in a Single-molecule Tunneling Junction: 1,5 Cyclooctadiene on Si(001), Nano Letters 9 2009, 2996.

S. Banerjee, D. Kröner, P. Saalfrank: Resonance Raman and Vibronic Absorption Spectra with Duschinsky Rotation from a Time-dependent Perspective: Application to -Carotene, The Journal of Chemical Physics 2012, 137, 22A534:1-9.

J. Wirth, R. Neumann, M. Antonietti, and P. Saalfrank: Adsorption, Photocatalytic Splitting of Water on Graphitic Carbon Nitride: A Combined First Principle and Semiempirical Study, Physical Chemistry Chemical Physics 2014, 25, 13623-13630.

R. Scholz, G. Floß, P. Saalfrank, G. Füchsel, I. Loncaric, J.I. Juaristi, Femtosecond-laser Induced Dynamics of CO on Ru(0001): Deep Insights from a Hot-electron Friction Model Including Surface Motion, Physical Review B 2016, 94, 165447:1-17.

E. Titov, G. Granucci, M. Persico, J.P. Götze, P. Saalfrank: Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects, The Journal of Physical Letters 2016, 7, 3591-3596.

A. Goulet-Hanssens, M. Utecht, D. Mutruc, E. Titov, J. Schwarz, L. Grubert, D. Bléger, P. Saalfrank, S. Hecht: Electrocatalytic Z -> E Isomerization of Azobenzenes, Journal of the American Chemical Society 2017, 139, 335-341.

G. Melani, Y. Nagata, J. Wirth, P. Saalfrank: Vibrational Spectroscopy of Hydroxylated alpha-Al2O3(0001) Surfaces with and without Water: An Ab Initio Molecular Dynamics Study. The Journal of Chemical Physics 2018, 149, 014707:1-10.

Latest News

Five UniSysCat groups jointly investigated what happens when the orientation of a single functional group in a photocatalyst is reversed - the impact on catalytic performance is huge