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

Simulation Users

10

2 2 3 3 6 9 10

Users By Organization Type
Type Users
Educational - University 5 (50%)
Unidentified 5 (50%)
Users by Country of Residence
Country Users
us UNITED STATES 5 (100%)

Simulation Runs

32

6 6 8 8 14 22 32
Overview
Average Total
Wall Clock Time 5.35 minutes 1.43 hours
CPU time 10.97 seconds 2.92 minutes
Interaction Time 34.25 minutes 9.13 hours