FunUQ for MD

By Sam Reeve1, Alejandro Strachan2

1. Lawrence Livermore National Laboratory 2. Purdue University

Functional uncertainty quantification for molecular dynamics

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Version 0.2 - published on 10 Apr 2019

doi:10.21981/85G0-1G97 cite this

Open source: license | download

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Usage

World usage

Location of all "FunUQ for MD" Users Since Its Posting

Cumulative Simulation Users

21

2 2 3 3 6 9 10 11 13 13 13 14 15 16 17 17 17 18 18 18 18 19 21 21 21

Users By Organization Type
Type Users
Unidentified 14 (66.67%)
Educational - University 7 (33.33%)
Users by Country of Residence
Country Users
us UNITED STATES 7 (100%)

Simulation Runs

74

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Overview
Average Total
Wall Clock Time 5.33 hours 7.99 days
CPU time 25.56 seconds 15.33 minutes
Interaction Time 1.85 hours 2.77 days