Fyzikální ústav Akademie věd ČR

Abstract: Non-adiabatic molecular dynamics provides an important tool for the study of photochemical reactions, which has potential application in many fields. Non-adiabatic molecular dynamics is rapidly developing field of research and various non-adiabatic methods based on quantum or classical trajectories were developed. One of the most commonly used method is trajectory surface hopping method, which offer an interesting compromise between accuracy and efficiency for the simulation of large-scales molecular systems.

The idea of regular scientific meetings of physicist involved in studies of ferroelectrics and phase transitions in Poland and Czechoslovakia followed inevitably from the success of first such event in Blazejewko in 1979. The Seminar was organized in collaborating of the Department of Dielectric of the Institute of Physics of Czechoslovak Academy of Sciences and Ferroelectric Lab of the Institute of Molecular Physics of Polish Academy of Sciences. The Seminars are an international forum for presentation of recent results, unconstrained discussions and initiating of joint studies.

It is widely recognized that the first-principles based calculations of strongly correlated materials are important for understanding physical and chemical properties. The quantitative materials theory makes remarkable impact on the modern technology. This workshop aims to disseminate the present knowledge in this rich and vivid field. We invite both theoreticians and experimentalists to discuss development and applications of the correlated band methods based on a combination of the density functional theory and the dynamical mean field theory.