International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nose Dynamics 30 Years (NOSE30)

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Molecular dynamics (MD) simulation is now a quite popular tool in a variety of theoretical/computational fields of biology, chemistry, physics, materials sciences and earth sciences. The present status of MD has been achieved not only because of the increase of computer power but also the numerous theoretical developments for more accurate and efficient sampling of the phase space for complex many-body phenomena.

One of the most important contributions, we believe, is the Nosé’s thermostatting method, nowadays established as “Nosé dynamics”, allowing to sample the canonical ensemble at a desired temperature in full phase space [Mol. Phys. 52, 255 (1984)]. The Nosé dynamics facilitated the development of the extended MD techniques such as Car-Parrinello MD.

This year, 2014, is the 30th anniversary year of the development of " Nosé dynamics" born in 1984. Celebrating this 30 year anniversary and referring to the methodological progress in the last three decades, this symposium focuses on the recent developments on the accurate and efficient sampling of the phase space and rare events based on the mathematical and statistical mechanics, and the forefront applications with such techniques. For this purpose, the organizing committee is inviting several active researchers in those fields in the world, and having intensive discussion among the participants. In particular, ph.D students and postdocs who have an interest in such fields are encouraged to attend the symposium and present their posters.

Main Topics:
Extended Molecular Dynamics methods
Enhanced Sampling methods
Ab Initio Molecular Dynamics methods
Applications of these methods

The NOSE30 international symposium is a satellite meeting of the 28th annual meeting of the Molecular Simulation Society of Japan (12-14 November 2014 @ Tohoku University; official language = Japanese). The ending time of the NOSE30 is set so that the participants can transfer to Sendai (Tohoku University) on the day via Tohoku Shinkansen.

NOSE30 organizing committee

The Molecular Simulation Society of Japan
Computational Statistical Physics Committee
Society for the Theory of Rare Events
Science and Technology, Keio University

Sponsors:
The Molecular Simulation Society of Japan
Computational Materials Science Initiative (CMSI)
Theoretical and Computational Chemistry Initiative (TCCI)
International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS)
Center of Computational Materials Science (CCMS), The Institute for Solid State Physics (ISSP), The University of Tokyo