Workshop 2018

“Modelling of Environment Effects in Quantum Chemistry”

Mariapfarr, 20-23 February 2018, Josef-Mohr-Saal

Scientific Organization: Benedetta Mennucci (University of Pisa)

 

Lecturers and topics

 
QM/MM models for solvated and embedded systems 1, 23
(ground state energies, properties and reactivity)
Jeremy Harvey (KU Leuven)


QM/MM with polarizable embeddings: 1-3
(from ground state to photoinduced processes)
Carles Curutchet (Universidad de Barcelona)


QM/continuum models: 123
(from solvated systems to more complex environments)
Benedetta Mennucci (University of Pisa)


Quantum embedding models: 123
Johannes Neugebauer (Westfälische Wilhelms-Universität Münster)

General Organizer
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Anne-Marie Kelterer
Institute of Physical and Theoretical Chemistry
Graz University of Technology
Stremayrgasse 9/I, 8010 Graz
email: kelterernoSpam@tugraz.at
phone: +43 316 873 32244
fax: +43 316 873 10 32244