Molecular Dynamics Seminars 2012 - Francesco Rao: "Rethinking molecular kinetics"
von 16:15 bis 17:00
|Wo||Seminar Room of Gustav Mie Haus, Ground Floor|
|Kontakttelefon||+49 (0)761-203 97336|
Open to University employees
Molecular Dynamics Seminars 2012
is initiated by Institute of Physics, University of Freiburg and FRIAS.
For further information:
Francesco Rao: Rethinking molecular kinetics
Molecular conformational changes are conventionally studied in terms of a suitable chosen reaction coordinate, disentangling the reactant, the product and the barrier between them. In most real cases however, it is difficult to choose such a coordinate because the relevant degrees of freedom are a priori unknown. Recently, a new arsenal of tools has emerged as possible candidates to better characterize these problems, of which the formation and breaking of hydrogen bonds in water represents a prototypical example. We found that the fluctuations of inter-atomic distances take implicitly into account of the environment, paving the way for an unbiased, quantitative description of the molecular dynamics.