Interactive molecular modeling - Closing a large carbon nanotube in SAMSON

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Uploaded by on Dec 29, 2010

A user of SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) interactively closes a carbon nanotube using a reactive force-field (the Brenner potential). An incremental update algorithm allows the user to perform local, physically-based modifications to the carbon nanotube. In general, SAMSON integrates adaptive, incremental algorithms to update the potential energy and interatomic forces. © NANO-D - INRIA. http://nano-d.inrialpes.fr

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