Specific Themes Note: it is anticipated that the meeting will be wider than these topics, but many of the invited presentations will be focussed on these issues.
- Multiscale formulation of molecular problems, e.g. path sampling algorithms
- Adaptive and parallel algorithms
- Methods for finding reaction pathways, free energies and rates
- Sampling methods based on dynamics and stochastic dynamics
- Nonequilibrium methods
- Applications to biomolecules
NAIS is providing partial support for this meeting, with cosponsorship from the EPSRC Research Network on Mathematical Challenges of Molecular Dynamics, and the E-Science Institute.
For further information on this event, please visit the event website at http://www.nais.org.uk/M3/