Northwestern University Initiative for Teaching Nanoscience

By Baudilio Tejerina

Northwestern University

This package allows users to study and analyze of molecular properties using various electronic structure methods.

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Version 1.2 - published on 18 Mar 2015

doi:10.4231/D3N58CM9R cite this

Open source: license | download

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Usage

World usage

Location of all "Northwestern University Initiative for Teaching Nanoscience" Users Since Its Posting

Cumulative Simulation Users

1,016

8 19 30 36 38 57 98 110 119 123 128 130 132 139 160 176 176 186 208 217 223 227 231 235 238 248 258 270 279 292 307 314 319 324 327 338 346 351 365 374 380 391 407 414 421 429 436 437 442 446 450 457 470 474 496 506 520 528 535 538 546 552 559 565 567 572 579 587 590 595 600 603 604 609 613 617 624 628 631 634 642 644 646 651 651 654 661 662 667 669 672 675 679 684 686 688 691 695 705 709 713 714 717 721 727 732 733 739 739 741 750 756 762 764 767 770 777 777 781 783 787 789 794 801 802 810 813 818 820 822 824 828 829 831 834 839 843 845 848 857 860 866 866 866 871 875 875 877 882 895 896 899 900 901 906 906 908 910 914 919 919 923 926 931 933 933 935 935 938 972 974 980 982 983 987 998 1,001 1,004 1,004 1,004 1,005 1,005 1,009 1,011 1,012 1,012 1,014 1,016

Simulation Runs

16,098

53 100 135 159 169 214 1247 3467 3500 3513 3528 3541 3545 3559 3727 4001 4009 4087 4599 6358 6368 6374 6389 6575 6581 6637 6710 6729 6748 6782 6804 6813 6820 6832 6836 6859 6881 6892 6990 7060 7617 7667 7690 7702 7721 7742 7775 7778 7787 7796 7813 7822 7907 7916 7980 7997 8395 9296 9462 9476 9521 9493 9511 9520 9528 9553 9569 9604 9615 9626 9644 9657 9668 9693 9724 9741 9967 9977 10003 10028 10217 10438 10527 10539 10539 10554 10577 10578 10586 10589 10595 10605 10643 10673 10730 10810 10826 10839 10986 10993 11013 11036 11048 11078 11091 11140 11143 11162 11162 11164 11245 11259 11277 11281 11294 11417 11950 11950 11953 11966 12044 12055 12084 12099 12105 12291 12423 12473 12523 12525 12530 12535 12541 12562 12571 12595 12600 12604 12607 12845 12910 12918 12923 12924 12938 12975 12975 12979 12985 13267 14070 15014 15104 15105 15112 15112 15114 15116 15123 15131 15131 15142 15146 15268 15291 15308 15316 15317 15324 15433 15508 15539 15586 15587 15627 15734 15741 15750 15750 15750 15751 15751 15813 15866 16093 16093 16096 16098
Overview
Average Total
Wall Clock Time 3.85 hours 1678.95 days
CPU time 2.48 minutes 18.03 days
Interaction Time 36.29 minutes 263.64 days