Workshop on Theoretical Chemistry
Path Integral Methods for Nuclear Quantum Effects
Scientific Organizer: David Manolopoulos, University of Oxford
Mariapfarr, 26 February - 1 March 2019
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2019 Speakers:
David Manolopoulos (Oxford, UK) – Scientific Organizer
Ring polymer molecular dynamics and reaction rate theory.
Angelos Michaelides (UCL, UK)
Ab initio path integral molecular dynamics: theory and applications.
Michele Ceriotti (EPFL, Switzerland)
Advanced methods (PIGLET, ring polymer contraction, and high order path integrals with projected Hessians).
Jeremy Richardson (ETH, Switzerland)
Instantons for tunnelling splittings and adiabatic and non-adiabatic reaction rates.
General Organizer
Anne-Marie Kelterer
Institute of Physical and Theoretical Chemistry
Graz University of Technology
Office: Brockmanngasse 29/3.OG
Post address: Stremayrgasse 9/I
8010 Graz
email: kelterer@tugraz.at
phone: +43 316 873 32244
fax: +43 316 873 10 32244