ReaxFF

By Michael Russo, Adri van Duin1

1. 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

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Usage

World usage

Location of all "ReaxFF" Users Since Its Posting

Simulation Users

238

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 97 100 100 100 103 106 108 110 115 124 143 146 150 151 152 154 160 160 160 162 167 172 175 177 181 182 183 185 191 200 206 207 210 219 228 230 234 236 238 238

Users By Organization Type
Type Users
Unidentified 152 (63.6%)
Educational - University 82 (34.31%)
Industry 3 (1.26%)
Government Agency 1 (0.42%)
National Lab 1 (0.42%)
Users by Country of Residence
Country Users
us UNITED STATES 57 (76%)
dz ALGERIA 3 (4%)
br BRAZIL 3 (4%)
cn CHINA 3 (4%)
in INDIA 2 (2.67%)
se SWEDEN 2 (2.67%)
de GERMANY 2 (2.67%)
ie IRELAND 1 (1.33%)
by BELARUS 1 (1.33%)
jp JAPAN 1 (1.33%)

Simulation Runs

3,785

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 1696 2537 2616 2626 2627 2633 2701 2855 2923 2975 3040 3088 3215 3314 3330 3358 3362 3363 3367 3385 3427 3443 3444 3456 3476 3724 3729 3742 3756 3785 3785
Overview
Average Total
Wall Clock Time 1.41 hours 146.69 days
CPU time 20.46 seconds 14.24 hours
Interaction Time 27.65 minutes 48.11 days