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

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Usage

World usage

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

Simulation Users

42

15 35 42

Users By Organization Type
Type Users
Unidentified 37 (88.1%)
Educational - University 5 (11.9%)
Users by Country of Residence
Country Users
us UNITED STATES 2 (50%)
in INDIA 1 (25%)
dz ALGERIA 1 (25%)

Simulation Runs

223

75 142 223
Overview
Average Total
Wall Clock Time 5.41 hours 22.08 days
CPU time 1.67 hours 6.84 days
Interaction Time 23.18 minutes 1.58 days