Computational Catalysis with DFT

By Kevin Greenman1, Peilin Liao2

1. Department of Chemical Engineering, University of Michigan 2. School of Materials Engineering, Purdue University

DFT tool for studying heterogeneous catalysis

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Version 1.0.2 - published on 07 Aug 2018

doi:10.4231/D3PK0743B cite this

Open source: license | download

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Usage

World usage

Location of all "Computational Catalysis with DFT" Users Since Its Posting

Simulation Users

120

15 35 44 57 64 68 90 98 120

Users By Organization Type
Type Users
Unidentified 106 (88.33%)
Educational - University 12 (10%)
National Lab 1 (0.83%)
Industry 1 (0.83%)
Users by Country of Residence
Country Users
us UNITED STATES 5 (41.67%)
in INDIA 2 (16.67%)
dz ALGERIA 1 (8.33%)
fr FRANCE 1 (8.33%)
ru RUSSIAN FEDERATION 1 (8.33%)
bd BANGLADESH 1 (8.33%)
eg EGYPT 1 (8.33%)

Simulation Runs

2,266

75 142 249 450 646 863 1864 2106 2266
Overview
Average Total
Wall Clock Time 3.8 hours 232.31 days
CPU time 30.46 minutes 31.06 days
Interaction Time 40.79 minutes 41.59 days