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