ab initio simulations with ORCA

By nicolas onofrio1, Alejandro Strachan1

1. Purdue University

ab initio and density functional theory calculations dedicated to molecular systems

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Version 1.3.3 - published on 22 Jan 2018

doi:10.4231/D32R3P00R cite this

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Usage

World usage

Location of all "ab initio simulations with ORCA" Users Since Its Posting

Simulation Users

410

4 28 33 39 43 50 56 58 64 69 75 83 89 117 122 134 139 150 222 229 240 249 259 275 283 303 323 337 344 364 372 382 398 406 410

Users By Organization Type
Type Users
Unidentified 342 (83.41%)
Educational - University 62 (15.12%)
National Lab 3 (0.73%)
Educational - Pre-College 1 (0.24%)
Unemployed 1 (0.24%)
Government Agency 1 (0.24%)
Users by Country of Residence
Country Users
us UNITED STATES 35 (60.34%)
in INDIA 13 (22.41%)
ae UNITED ARAB EMIRATES 2 (3.45%)
ru RUSSIAN FEDERATION 2 (3.45%)
kr KOREA, REPUBLIC OF 1 (1.72%)
by BELARUS 1 (1.72%)
ro ROMANIA 1 (1.72%)
co COLOMBIA 1 (1.72%)
sv EL SALVADOR 1 (1.72%)
es SPAIN 1 (1.72%)

Simulation Runs

6,744

15 355 373 382 395 415 468 479 524 569 650 677 732 1937 2009 2175 2215 2383 3753 4350 4614 4697 4867 5093 5113 5481 5865 6100 6125 6247 6289 6365 6521 6727 6744
Overview
Average Total
Wall Clock Time 1.66 hours 351.71 days
CPU time 19.85 minutes 69.97 days
Interaction Time 24.87 minutes 87.66 days