MolCToy

Computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts

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Version 1.0.2 - published on 17 Sep 2014

doi:10.4231/D38S4JQ22 cite this

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Usage

World usage

Location of all "MolCToy" Users Since Its Posting

Cumulative Simulation Users

1,555

36 41 44 47 48 49 52 54 57 65 73 76 78 82 88 91 95 97 100 102 103 104 105 138 140 179 186 191 203 204 209 218 225 229 248 261 273 287 312 354 378 401 434 452 471 488 513 539 553 578 591 604 624 639 653 681 691 700 714 732 746 764 772 779 793 804 821 831 838 843 847 862 866 886 893 894 895 900 908 927 934 941 947 951 957 959 963 965 966 969 972 980 986 989 992 993 997 1,008 1,013 1,025 1,029 1,032 1,038 1,051 1,056 1,056 1,059 1,060 1,065 1,067 1,073 1,076 1,079 1,080 1,082 1,092 1,095 1,097 1,098 1,102 1,105 1,111 1,115 1,116 1,119 1,123 1,128 1,150 1,153 1,162 1,163 1,164 1,176 1,177 1,177 1,181 1,184 1,187 1,198 1,205 1,209 1,211 1,213 1,215 1,217 1,218 1,219 1,223 1,225 1,227 1,232 1,246 1,251 1,288 1,289 1,289 1,290 1,293 1,293 1,294 1,295 1,299 1,302 1,324 1,324 1,326 1,328 1,333 1,336 1,337 1,338 1,342 1,343 1,348 1,353 1,373 1,377 1,378 1,378 1,379 1,381 1,384 1,384 1,384 1,386 1,389 1,392 1,416 1,417 1,417 1,419 1,422 1,423 1,425 1,426 1,427 1,427 1,428 1,435 1,439 1,440 1,443 1,446 1,446 1,448 1,448 1,448 1,448 1,449 1,451 1,457 1,470 1,471 1,471 1,473 1,476 1,479 1,482 1,486 1,490 1,491 1,492 1,493 1,497 1,497 1,499 1,503 1,504 1,506 1,507 1,508 1,509 1,511 1,513 1,516 1,516 1,516 1,517 1,518 1,520 1,522 1,522 1,524 1,524 1,524 1,525 1,530 1,530 1,531 1,532 1,534 1,534 1,536 1,537 1,540 1,540 1,540 1,541 1,542 1,543 1,547 1,547 1,549 1,551 1,552 1,552 1,552 1,552 1,552 1,552 1,555

Simulation Runs

17,709

275 365 373 380 381 382 386 392 399 418 491 505 511 522 546 559 578 582 590 594 610 616 618 1001 1010 1146 1161 1220 1451 1461 1475 1499 1539 1552 1654 1874 2012 2209 2513 2801 2910 3003 3145 3253 3351 3481 3628 3856 4122 4554 4832 5161 5503 5655 6059 6388 6554 6629 6767 6996 7101 7307 7503 7649 7806 7919 8144 8296 8506 8616 8636 8953 9394 9599 9647 9760 9767 9781 9953 10170 10446 10499 10587 10639 10709 10800 10927 10937 10943 10982 10995 11082 11247 11385 11449 11506 11528 11604 11643 12107 12132 12141 12169 12272 12289 12300 12323 12326 12350 12361 12458 12655 12714 12737 12751 12875 12900 12910 12921 12957 12978 13075 13277 13287 13344 13367 13427 13596 13605 13656 13667 13678 13750 13777 13793 13805 13794 13835 13990 14069 14148 14154 14158 14163 14169 14178 14185 14198 14204 14215 14301 14436 14488 15712 15714 15717 15718 15762 15763 15765 15771 15793 15807 15942 15942 15963 15973 16022 16030 16032 16039 16052 16058 16072 16184 16416 16450 16466 16490 16629 16634 16654 16654 16654 16669 16702 16761 16976 16978 16978 16985 16990 16992 17006 17013 17019 17023 17025 17109 17128 17133 17137 17145 17145 17153 17153 17153 17153 17155 17172 17181 17209 17212 17215 17222 17237 17316 17320 17332 17411 17416 17431 17432 17438 17438 17441 17452 17457 17460 17461 17466 17476 17481 17491 17497 17498 17498 17501 17528 17546 17551 17551 17554 17554 17554 17557 17615 17616 17621 17622 17626 17626 17630 17631 17649 17652 17652 17653 17655 17656 17664 17665 17668 17672 17675 17675 17675 17675 17675 17675 17709
Overview
Average Total
Wall Clock Time 7.19 hours 4448.18 days
CPU time 1.96 seconds 6.26 hours
Interaction Time 55.49 minutes 442.11 days