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

• Monthly
• Yearly
• Cumulative

Simulation Users

15 Sep 2019

2 2 3 3 6 9 10 11 13 13 13 14 15

Users By Organization Type

Type	Users
Unidentified	9 (60%)
Educational - University	6 (40%)

Users by Country of Residence

Country	Users
UNITED STATES	6 (100%)

Simulation Runs

50 Sep 2019

6 6 8 8 14 22 32 34 46 46 46 48 50

Overview

	Average	Total
Wall Clock Time	37.68 minutes	15.7 hours
CPU time	16.37 seconds	6.82 minutes
Interaction Time	1.31 hours	1.36 days