ReaxFF

By Michael Russo1, Adri van Duin2

1. Pennsylvania State University 2. Penn State University

ReaxFF code for simulating atomic systems

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Version 1.9b - published on 06 Aug 2014

doi:10.4231/D3WH2DF8S cite this

This tool is closed source.

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Usage

World usage

Location of all "ReaxFF" Users Since Its Posting

Simulation Users

160

9 13 23 25 28 28 29 30 33 34 34 34 34 34 34 34 34 36 36 44 44 47 49 49 49 52 52 53 53 56 58 68 68 71 72 73 73 74 76 78 79 84 88 93 96 97 100 100 100 103 106 108 110 115 124 143 146 150 151 152 154 160 160 160

Users By Organization Type
Type Users
Unidentified 84 (52.17%)
Educational - University 73 (45.34%)
Industry 2 (1.24%)
Government Agency 1 (0.62%)
National Lab 1 (0.62%)
Users by Country of Residence
Country Users
us UNITED STATES 54 (78.26%)
dz ALGERIA 3 (4.35%)
br BRAZIL 3 (4.35%)
de GERMANY 2 (2.9%)
cn CHINA 2 (2.9%)
gb UNITED KINGDOM 1 (1.45%)
at AUSTRIA 1 (1.45%)
kr KOREA, REPUBLIC OF 1 (1.45%)
se SWEDEN 1 (1.45%)
cl CHILE 1 (1.45%)

Simulation Runs

3,288

70 114 521 699 712 713 733 735 749 753 753 753 753 753 753 753 753 771 771 972 976 1025 1067 1107 984 997 1039 1040 1040 1067 1089 1390 1390 1398 1402 1407 1409 1411 1419 1425 1431 1451 1467 1574 1583 1588 1598 1602 1602 1632 1638 1648 1653 1680 1697 2823 2961 2972 2973 2983 3052 3212 3280 3288
Overview
Average Total
Wall Clock Time 1.31 hours 128.82 days
CPU time 24.49 seconds 16.07 hours
Interaction Time 23.56 minutes 38.67 days