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 1.2.4 - published on 25 Mar 2016

doi:10.4231/D3FJ29D9W cite this

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Usage

World usage

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

Cumulative Simulation Users

67

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 53 53 53 53 53 53 53 54 54 55 55 55 55 55 55 55 55 55 56 56 56 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 59 59 59 59 59 59 59 59 59 59 60 60 60 61 61 61 61 61 61 61 61 61 61 61 61 61 61 62 62 63 63 63 63 63 63 63 63 63 63 63 65 65 65 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 67 67 67 67 67 67 67 67 67 67 67

Simulation Runs

305

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Overview
Average Total
Wall Clock Time 4.24 hours 21.4 days
CPU time 1.19 minutes 2.4 hours
Interaction Time 16.52 minutes 1.39 days