November 29 - December 2, 2021
Boston, Massachusetts
December 6 - 8, 2021 (Virtual)
2021 MRS Fall Meeting
EN11.14.05
Extensive Benchmarking of Nonempirical DFT+U Calculations for Band Gap Predictions and Photocatalytic Materials Discovery
When and Where
Dec 6, 2021
5:15pm - 5:30pm
5:15pm - 5:30pm
EN11-Virtual
Presenter(s)
Co-Author(s)
Nicole Hall1,Wayne Zhao1,Yihuang Xiong1,Iurii Timrov2,Ismaila Dabo1
The Pennsylvania State University1,École Polytechnique Fédérale de Lausanne2
Symposium Organizers
Haotian Wang, Rice University
Chong Liu, University of California, Los Angeles
Samira Siahrostami, University of Calgary
Wilson Smith, National Renewable Energy Laboratory
Session Chairs
Wilson Smith
Haotian Wang