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

Open source: license | download

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Usage

World usage

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

Simulation Users

23

3 6 6 10 23

Users By Organization Type
Type Users
Unidentified 14 (60.87%)
Educational - University 9 (39.13%)
Users by Country of Residence
Country Users
us UNITED STATES 8 (88.89%)
in INDIA 1 (11.11%)

Simulation Runs

144

10 23 29 43 144
Overview
Average Total
Wall Clock Time 1.43 hours 4.54 days
CPU time 1.31 seconds 1.66 minutes
Interaction Time 33.36 minutes 1.76 days