Multiple Interface Set TIS
Multiple interface set transition interface sampling (MISTIS) is an approach that I developed for studying systems with many stable states. In such systems, a single initial state can, in theory, have transitions to all the other states. And it is unlikely that a single order parameter will be a good guess of the reaction coordinate for all transitions. MISTIS allows us to use multiple order parameters, while still being more efficient than independent simulations.
MISTIS allows multiple order parameters for each initial state. It retains the efficiency advantages that come with replica exchange TIS, even allowing replica exchange between different interface sets. It also has the additional advantage that specific transitions of interest can be focused on (instead of requiring all N(N−1) transitions that are possible for N states).
Blog posts on this topic:
- Invited talk at Brown
- Paper on multiple interface set transition interface sampling
- Talk at Monte Carlo/Quasi-Monte Carlo methods conference about MISTIS
- Poster on MISTIS at CECAM workshop on long time dynamics
- Talk on multiple interface set TIS at Dutch Molecular Dynamics Day
- ACS talk on multiple interface set TIS