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 1.1 - published on 22 Nov 2019

doi:10.21981/KWND-0N31 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

99

1 3 5 10 15 19 20 24 27 35 43 49 53 60 65 72 82 87 89 94 97 97 99

Users By Organization Type

Type	Users
Unidentified	93 (93.94%)
Educational - University	5 (5.05%)
National Lab	1 (1.01%)

Users by Country of Residence

Country	Users
THAILAND	1 (20%)
BANGLADESH	1 (20%)
GREECE	1 (20%)
UNITED STATES	1 (20%)
ALGERIA	1 (20%)

Simulation Runs

220 May 2021

2 4 6 23 35 44 46 51 60 73 91 103 113 127 138 151 172 181 186 207 218 218 220

Overview

	Average	Total
Wall Clock Time	4.86 hours	30.36 days
CPU time	1.7 minutes	4.24 hours
Interaction Time	10.15 minutes	1.06 days