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

62

15 35 44 57 62

Users By Organization Type
Type Users
Unidentified 55 (88.71%)
Educational - University 6 (9.68%)
Industry 1 (1.61%)
Users by Country of Residence
Country Users
us UNITED STATES 4 (66.67%)
in INDIA 1 (16.67%)
dz ALGERIA 1 (16.67%)

Simulation Runs

544

75 142 249 450 544
Overview
Average Total
Wall Clock Time 5.16 hours 52.87 days
CPU time 1.1 hours 11.32 days
Interaction Time 39.46 minutes 6.74 days