Reactive force fields:
from development and implementation to applications

Invited speakers

Bernd Hartke, Christian-Albrechts-University Kiel, "Generating Reactive Force Fields: From Universal but Challenging to Special but Simple"

Ole Carstensen, SCM, "New developments in ADF/ReaxFF"

Benoit Coasne, CNRS-MIT, "Molecular modeling of the elasticity and failure of clay-organic nanocomposites"


Contributed talks

Graeme Ackland, University of Edinburgh "The problem of potentials for metal metal-oxide interfaces"

Pierre Olivier Hubin, University of Namur "Combining a Reactive Force Field with Free Energy Methods for the Mechanistic Investigation of a Proline-Catalyzed Reaction"

Robin Chaudret, Scienomics "Methyl-naphthalene thermal decomposition: Influence of temperature and of the substituent position"

Jorge Kohanoff, Queen's University Belfast, "The ENACT project: improving chemical technologies by combining simulation and experiment"