Interface Sampling

Daniele Moroni


Transition Interface Sampling (TIS) and Partial Path TIS are two methods for the simulation of rare events, transitions between stable states separated by a high energy barrier. They were devised by Dr. T. van Erp and developed by van Erp and myself under the supervision of Dr. P. Bolhuis.

I applied the methods to study the case of a supercooled liquid, where solidification is not initiated until clusters of a critical size are formed. I make available here the simulation code I developed. For all the theoretical details refer to my PhD thesis.

TISuite.v0.tar.gz Primordial version. No documentation. (644K)

The code is provides AS IS, with NO WARRANTY, either expressed or implied, and may be freely redistributed under the terms of the GNU General Public License.





Copyright © 2001 Daniele Moroni
http://www.science.uva.nl/~moroni/
last modified: Mar 29, 2005
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