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Bibliographia Humboldtiana Index

Bibliographia Humboldtiana

II. Publications by Humboldt Research Fellows from Germany in 2018

Chemistry, pharmacy

Brandenburg, Dr. Jan Gerit

Rheinische Friedrich-Wilhelms-Universität Bonn, Germany
Field of research: Theoretical chemistry
Host: Prof. Dr. Angelos Michaelides University College London
  • A. Zen, J. G. Brandenburg, J. Klimeš, A. Tkatchenko, D. Alfè, A. Michaelides: Fast and accurate quantum monte-carlo for molecular crystals. In: Proc. Natl. Acad. Sci. U.S.A. in press, 2018, [quantum Monte-Carlo, molecular crystal, lattice energy, chemical accuracy].

  • M. Mortazavi, J. G. Brandenburg, R. J. Maurer, A. Tkatchenko: Structure and stability of molecular crystals with many body dispersion inclusive density functional tight binding. In: J. Phys. Chem. Lett.. in press, 2018, [density functional tight binding, London dispersion interaction, many-body dispersion, molecular crystals, crystal structure prediction].

Jerabek, Dr. Paul

Philipps-Universität Marburg, Germany
Field of research: Theoretical chemistry
Host: Prof. Dr. Peter A. Schwerdtfeger Massey University
  • Paul Jerabek, Odile Smits, Elke Pahl and Peter Schwerdtfeger Centre: A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer. In: Molecular Physics. 1, 2018, p. 1 - 8 [Xenon many-body potential Relativistic coupled-cluster Spectroscopic constants Solid-state calculations].

  • Paul Jerabek, Bastian Schuetrumpf, Peter Schwerdtfeger, Witold Nazarewicz: Electron and nucleon localization functions of oganesson: Approaching the Thomas-Fermi limit. In: Physical Reviews Letters. 120, 2018, p. 053001 [Relativistic Effects, Oganesson, Super-heavy Elements, Electron Localization Function, Nuclear Physics, Atomic Physics].