[theochem-announce] Theoretical chemistry seminar TODAY: Michele Parrinello

[Michael Mavros]

As part of the theoretical chemistry seminar series, Prof. Michele
Parrinello of ETH Zurich will be giving a talk today from 4-6 PM in 4-163.

 *Challenges and progress in atomistic molecular dynamics simulations*


 The rapid development of computer technology and namely algorithms have
had deep impact on science. Of particular significance has been the
emergence of realistic atomistic simulation. These calculations provide
precious insight, replace difficult experiments and predict new phenomenon.
Yet in spite of remarkable progress much remain to be done to widen the
scope of atomistic simulation, especially in the fields of nanotechnology
and biosciences. This require extending the time and length scale of the
system studied. Even more challenging is the need to find appropriate tools
to describe and tame the complexity of the systems of current interest. We
shall review progress in the field. And discuss in some details recent
applications crystal growth from solution and to protein-ligand binding.

-- 
Michael Mavros
Department of Chemistry, Massachusetts Institute of Technology
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