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Workshop on Theoretical Chemistry

 

Path Integral Methods for Nuclear Quantum Effects

Scientific Organizer: David Manolopoulos, University of Oxford

Mariapfarr, 26 February - 1 March 2019

Registration is now open !

 

Tentative 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
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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: kelterernoSpam@tugraz.at
phone: +43 316 873 32244
fax: +43 316 873 10 32244