Adsorption Energy Calculator

By Julian C Umeh; Thomas A Manz

Calculate the total energy of adsorbates as they move around a metal organic framework

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Version 1.2 - published on 15 Mar 2022

doi:10.21981/X0D2-VT17 cite this

Open source: license | download

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Usage

World usage

Location of all "Adsorption Energy Calculator" Users Since Its Posting

• Monthly
• Yearly
• Cumulative

Cumulative Simulation Users

214

1 3 5 10 15 19 20 24 27 35 43 49 53 60 65 72 82 87 89 94 97 97 99 100 102 102 105 110 116 120 123 125 130 135 139 141 143 144 146 149 151 156 161 167 170 173 177 183 186 188 191 193 198 202 204 210 214

Simulation Runs

562 Mar 2024

2 4 6 23 35 44 46 51 60 73 91 103 113 127 138 151 172 181 186 207 218 218 220 223 226 226 231 250 279 295 322 328 341 350 357 364 366 371 378 383 387 409 451 463 470 475 483 493 500 504 508 515 527 538 544 555 562

Overview

	Average	Total
Wall Clock Time	2.28 hours	43.7 days
CPU time	1.46 minutes	11.2 hours
Interaction Time	37.54 minutes	11.99 days