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

155

1 3 5 10 15 19 20 24 27 35 43 49 53 60 65 72 82 87 89 94 97 97 99 100 102 102 105 110 116 120 123 125 130 135 139 141 143 144 146 149 151 155

Users By Organization Type

Type	Users
Unidentified	144 (92.9%)
Educational - University	8 (5.16%)
National Lab	3 (1.94%)

Users by Country of Residence

Country	Users
CHINA	2 (20%)
VIET NAM	1 (10%)
GREECE	1 (10%)
SLOVENIA	1 (10%)
UNITED STATES	1 (10%)
BANGLADESH	1 (10%)
ALGERIA	1 (10%)
PAKISTAN	1 (10%)
THAILAND	1 (10%)

Simulation Runs

406 Dec 2022

2 4 6 23 35 44 46 51 60 73 91 103 113 127 138 151 172 181 186 207 218 218 220 223 226 226 231 250 279 295 322 328 341 350 357 364 366 371 378 383 387 406

Overview

	Average	Total
Wall Clock Time	3.13 hours	41.72 days
CPU time	1.51 minutes	8.06 hours
Interaction Time	50.19 minutes	11.15 days