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Hyper-REBO

By Xufeng Wang1, Susan Sinnott2, jing xu2, SeongJun Heo2, Wen-Dung Hsu2

1. Purdue University 2. University of Florida

Second-generation reactive empirical bond order(REBO)potential energy expression for hydrocarbons

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Version 1.2.3 - published on 13 Nov 2014

doi:10.4231/D3T43J38X cite this

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Usage

World usage

Location of all "Hyper-REBO" Users Since Its Posting

Simulation Users

53

2 2 2 2 2 2 2 2 2 2 2 3 6 10 11 11 11 13 14 15 18 19 20 21 22 22 22 24 26 27 27 28 28 28 30 30 30 32 32 32 33 35 35 37 37 38 38 39 40 41 41 41 42 42 42 42 42 43 44 44 44 46 48 48 48 48 48 48 49 49 49 49 49 50 51 51 51 51 51 51 51 51 51 51 51 51 51 52 52 53 53

Users By Organization Type
Type Users
Educational - University 40 (75.47%)
Industry 6 (11.32%)
Unidentified 4 (7.55%)
Unemployed 2 (3.77%)
National Lab 1 (1.89%)
Users by Country of Residence
Country Users
us UNITED STATES 23 (56.1%)
in INDIA 7 (17.07%)
jp JAPAN 2 (4.88%)
ru RUSSIAN FEDERATION 2 (4.88%)
gb UNITED KINGDOM 2 (4.88%)
br BRAZIL 1 (2.44%)
de GERMANY 1 (2.44%)
tw TAIWAN 1 (2.44%)
es SPAIN 1 (2.44%)
ar ARGENTINA 1 (2.44%)

Simulation Runs

271

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Overview
Average Total
Wall Clock Time 4.48 hours 18.47 days
CPU time 1.36 minutes 2.24 hours
Interaction Time 19.06 minutes 1.31 days

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