QC-Lab

By Baudilio Tejerina

Northwestern University

Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

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Version 3.8 - published on 25 Oct 2022

doi:10.21981/NT2F-D357 cite this

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Usage

World usage

Location of all "QC-Lab" Users Since Its Posting

Cumulative Simulation Users

5,596

57 98 134 144 159 170 181 188 436 445 453 836 890 911 923 930 939 986 1,002 1,008 1,201 1,205 1,209 1,587 1,618 1,626 1,640 1,644 1,647 1,653 1,658 1,659 1,867 1,869 1,871 2,255 2,260 2,268 2,277 2,280 2,287 2,340 2,343 2,346 2,384 2,548 2,553 2,993 2,996 3,010 3,018 3,025 3,030 3,034 3,036 3,040 3,303 3,312 3,318 3,344 3,733 3,751 3,764 3,783 3,797 3,801 3,805 3,825 4,048 4,055 4,064 4,425 4,555 4,576 4,586 4,591 4,595 4,598 4,603 4,613 4,618 4,634 4,641 4,661 4,729 4,750 4,765 4,770 4,773 4,783 4,787 4,794 4,851 4,857 4,864 4,867 4,875 4,879 4,882 4,885 4,887 4,888 4,893 4,899 4,903 4,908 4,911 4,918 4,936 4,948 4,962 4,965 4,968 4,971 4,974 4,976 4,979 4,986 4,987 4,989 4,990 4,990 4,994 5,000 5,007 5,012 5,014 5,023 5,030 5,033 5,035 5,042 5,057 5,067 5,072 5,094 5,095 5,100 5,105 5,121 5,134 5,136 5,139 5,144 5,147 5,154 5,159 5,163 5,164 5,166 5,169 5,170 5,202 5,206 5,208 5,217 5,220 5,222 5,227 5,231 5,234 5,239 5,240 5,240 5,251 5,252 5,254 5,255 5,261 5,284 5,291 5,297 5,302 5,304 5,312 5,328 5,344 5,350 5,381 5,388 5,397 5,401 5,407 5,411 5,416 5,419 5,422 5,424 5,442 5,449 5,461 5,466 5,468 5,470 5,472 5,472 5,476 5,476 5,477 5,495 5,500 5,506 5,518 5,522 5,525 5,544 5,556 5,559 5,567 5,570 5,572 5,574 5,576 5,580 5,591 5,592 5,595 5,596

Simulation Runs

294,117

2648 5142 5316 5350 5399 5434 5460 5507 10391 10448 10511 16812 19324 21617 24769 27825 27996 29071 29237 29306 35349 35406 35416 46260 47839 52723 53949 54251 54305 54329 54355 54425 62321 62397 62580 79202 79654 80389 82435 82826 84121 86388 86743 86965 87167 95261 95430 112477 112639 113536 115756 117655 118322 118397 118412 118426 129876 129968 130041 131155 140319 141452 142991 144908 146707 146788 146819 147268 157424 157575 157838 168334 174912 175280 179154 179489 179585 179625 179657 179907 180277 180391 180411 181729 184168 188613 188956 189696 190150 190245 190417 190262 201030 201490 201740 201784 201937 202010 202022 202055 202100 202120 202292 202388 202540 202583 202600 202683 203489 205990 206162 206190 206222 206239 206250 206253 206276 206305 206311 206334 206342 206353 206388 206423 206522 206536 206548 207166 207784 208066 208240 208423 209109 209836 210186 211529 215173 215363 215392 215573 216100 216112 216120 216131 216541 216749 217381 217927 218298 218813 219136 219417 226090 232947 240021 240583 240595 240666 240761 240786 240831 240858 240944 240945 241559 241563 241569 241589 241603 245132 248648 249370 250039 250810 250967 251965 256168 263834 275387 275602 275675 275726 277349 278816 278834 278839 278869 278874 280142 283742 287573 287582 287591 287593 287595 287600 287607 287610 287614 287683 287729 287764 288414 288443 288468 289189 290807 292634 292761 292949 293002 293024 293026 293104 294080 294083 294104 294117
Overview
Average Total
Wall Clock Time 55.2 minutes 8613.72 days
CPU time 1.16 minutes 181.5 days
Interaction Time 18.53 minutes 2892.36 days