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TRANSpull: computes pulling coupled to transport properties of single molecules.

By Jason Hutcheson1, Ignacio Franco1, Renaud Nicolas1, Marcelo Carignano1, Mark Ratner1, George C. Schatz1

1. Northwestern University

Calculates the electronic transport properties of single molecules as they are mechanically elongated.

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Version 1.2 - published on 22 Aug 2014

doi:10.4231/D3ZS2KD79 cite this

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Location of all "TRANSpull: computes pulling coupled to transport properties of single molecules." Users Since Its Posting

Simulation Users

28

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Users By Organization Type
Type Users
Educational - University 24 (85.71%)
Unidentified 3 (10.71%)
Educational - Pre-College 1 (3.57%)
Users by Country of Residence
Country Users
us UNITED STATES 13 (52%)
in INDIA 3 (12%)
de GERMANY 2 (8%)
nl NETHERLANDS 1 (4%)
th THAILAND 1 (4%)
co COLOMBIA 1 (4%)
dk DENMARK 1 (4%)
sa SAUDI ARABIA 1 (4%)
cn CHINA 1 (4%)
dz ALGERIA 1 (4%)

Simulation Runs

791

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Overview
Average Total
Wall Clock Time 1.08 hours 25.09 days
CPU time 19.02 seconds 2.96 hours
Interaction Time 18.39 minutes 7.15 days

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