This is a workshop focusing on the computational chemistry software package named CPMD used for calculating ab-initio molecular dynamics, with topics ranging from materials science to metadynamics. The conference is aimed at scientists, academics, researchers, and industry experts, and provides a forum for defining the dominant trends in the field for the next years.
Sep 05, 2011 - Sep 09, 2011
This international meeting is intended to review the state of the art in the area of Ab initio molecular dynamics (MD) and to clarify the dominant trends in the field for next years. At this workshop, PMI scientists present their results on the theoretical investigations of the pyrolysis in the gas phase and at solid surfaces of humectants used in tobacco industries.