Zweiter Vortrag der »Boltzmann Lectures« der Fakultät für Physik der Universität Wien Mitschnitt einer Veranstaltung am Dienstag, dem 4. Dezember 2012 im Lise-Meitner-Hörsaal der Fakultät für Physik Abstract: The rapid development of computer technology and algorithms has had a deep impact on science. Of particular significance has been the emergence of realistic atomistic simulations. These calculations provide precious insight, replace difficult experiments and predict new phenomena. Yet, in spite of remarkable progress, much remains to be done to widen the scope of atomistic simulations, especially in nanotechnology and the biosciences. This requires extending the simulation time and length scales as well as appropriate tools to describe and tame the complexity of the systems of interest. Michele Parrinello ist Professor an der ETH Zürich und einer der weltweit führenden Wissenschaftler auf dem Gebiet der Computational Physics. Kapitel Titel Position --------------------------------------------------------------------- 1. Vorspann 00:00:00 2. Technological progress in computational power 00:00:18 3. Why atomic simulations? 00:07:56 4. Molecular dynamics 00:12:12 5. Overcoming the limitations of molecular dynamics 00:24:00 6. The time scale problem 00:28:30 7. Metadynamics 00:34:57

Molekulardynamik, Computersimulation

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