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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 3.6 - published on 10 Mar 2014

doi:10.4231/D3RR1PM84 cite this

Open source: license | download

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Usage

World usage

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

Simulation Users

4,881

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 4,881

Users By Organization Type
Type Users
Educational - University 4,528 (92.73%)
Unidentified 195 (3.99%)
Industry 47 (0.96%)
Educational - Unspec. Level 37 (0.76%)
National Lab 28 (0.57%)
Unemployed 18 (0.37%)
Educational - Pre-College 16 (0.33%)
Government Agency 9 (0.18%)
Personal 3 (0.06%)
Military 2 (0.04%)
Users by Country of Residence
Country Users
us UNITED STATES 4,323 (95.68%)
in INDIA 68 (1.51%)
kr KOREA, REPUBLIC OF 21 (0.46%)
cn CHINA 19 (0.42%)
ca CANADA 19 (0.42%)
ru RUSSIAN FEDERATION 15 (0.33%)
de GERMANY 15 (0.33%)
tw TAIWAN 13 (0.29%)
cz CZECH REPUBLIC 13 (0.29%)
it ITALY 12 (0.27%)

Simulation Runs

202,220

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 190452 201220 201680 201930 201974 202132 202213 202220
Overview
Average Total
Wall Clock Time 52.43 minutes 6282.98 days
CPU time 3.06 seconds 6.11 days
Interaction Time 21.47 minutes 2573.16 days

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