Vacancy Formation Energy with MD

By Sam Reeve1, Alejandro Strachan1

1. Purdue University

Calculate vacancy formation energy with molecular dynamics and various atomic interaction models

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Version 1.1.1 - published on 03 Aug 2017

doi:10.4231/D34746T4G cite this

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Usage

World usage

Location of all "Vacancy Formation Energy with MD" Users Since Its Posting

Simulation Users

52

3 6 6 10 31 44 45 48 50 52

Users By Organization Type
Type Users
Unidentified 38 (73.08%)
Educational - University 14 (26.92%)
Users by Country of Residence
Country Users
us UNITED STATES 11 (78.57%)
in INDIA 1 (7.14%)
fi FINLAND 1 (7.14%)
ru RUSSIAN FEDERATION 1 (7.14%)

Simulation Runs

290

10 23 29 43 172 245 255 270 280 290
Overview
Average Total
Wall Clock Time 1.63 hours 10.39 days
CPU time 1.28 seconds 3.26 minutes
Interaction Time 35.04 minutes 3.72 days