Workshop on Theoretical Chemistry


Path Integral Methods for Nuclear Quantum Effects

Scientific Organizer: David Manolopoulos, University of Oxford

Mariapfarr, 26 February - 1 March 2019


The workshop is sponsered by


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

phone: +43 316 873 32244
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