Erich Wimmer, Introductory Remarks

Georg Kresse, Univerity of Vienna, Austria

Organic perovskites: from RPA to phase diagrams via machine learning

Moritz to Baben, GTT, Germany

Assessing phase stability with respect to competing phases

Coffee break

Antoine Claisse, Westinghouse, Sweden

Atomistic Modeling at Westinghouse - Needs and Perspectives

Richard W. Smith, Naval Nuclear Laboratory, USA

New potentials for Zr/h: Collaboration with Materials Design, Inc.

Photograph and Lunch

Veronique Lachet, IF-EN, France

Thermo-physical properties of U1-yPuyO2 MOX fuel using classical Monte Carlo simulations

Krzysztof Parlinski, University of Cracow, Poland

Phonon anharmonicity from ab initio calculations

Stéphane Brice Olou’ou Guifo, Volkswagon, Germany

Computational design of advanced energy materials for automotive engineering

Coffee Break

Richard Catlow, Royal Society, UK

Computer modeling of nano-particulate, microporous, and photo-active catalysts

James J.P. Stewart, Stewart Computational Chemistry, USA

A worked example of how Computational Chemistry can help in solving an important and difficult problem

UGM Dinner