nanoMATERIALS SeqQuest DFT

By Ravi Pramod Kumar Vedula1; Greg Bechtol1; Benjamin P Haley1; Alejandro Strachan1

1. Purdue University

DFT calculations of materials

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Version 1.6 - published on 25 Mar 2016

doi:10.4231/D3K931744 cite this

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Usage

World usage

Location of all "nanoMATERIALS SeqQuest DFT" Users Since Its Posting

Cumulative Simulation Users

2,254

52 56 61 71 82 88 91 115 130 139 147 148 198 200 206 212 216 218 223 225 229 239 244 244 249 253 289 293 296 301 303 325 327 329 332 333 336 399 405 511 518 522 527 529 535 535 543 549 597 606 607 613 623 628 633 645 654 661 669 674 741 750 756 766 777 786 793 824 835 839 853 861 874 880 898 909 925 944 949 963 1,019 1,030 1,053 1,069 1,144 1,154 1,161 1,176 1,191 1,197 1,225 1,289 1,305 1,320 1,334 1,361 1,383 1,397 1,411 1,422 1,444 1,454 1,462 1,482 1,495 1,510 1,519 1,524 1,529 1,544 1,560 1,569 1,582 1,593 1,610 1,626 1,640 1,643 1,656 1,663 1,680 1,686 1,706 1,719 1,731 1,741 1,752 1,762 1,778 1,788 1,799 1,817 1,859 1,867 1,875 1,883 1,902 1,907 1,915 1,946 1,953 1,957 1,962 1,971 1,978 1,985 1,997 2,004 2,012 2,019 2,040 2,067 2,082 2,090 2,096 2,106 2,133 2,142 2,150 2,154 2,159 2,163 2,172 2,193 2,216 2,230 2,239 2,244 2,251 2,254

Simulation Runs

35,918

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Overview
Average Total
Wall Clock Time 1.94 hours 2189.85 days
CPU time 3.22 minutes 60.63 days
Interaction Time 29.53 minutes 556.39 days