November 29 - December 2, 2021

Boston, Massachusetts

December 6 - 8, 2021 (Virtual)

2021 MRS Fall Meeting

DS02.12.04

Systematic Evaluation of First Principles DFT+U+J Algorithms for the Fast and Accurate Modelling of Transition Metal Oxides

When and Where

Dec 6, 2021
11:30am - 11:45am

DS02-Virtual

Presenter(s)

David O’Regan

Co-Author(s)

Daniel Lambert¹,David O’Regan¹

Trinity College Dublin¹

Keywords

oxide

Symposium Organizers

Enrique Martinez, Clemson University

David Aristoff, Colorado State University

Jutta Rogal, New York University

Gideon Simpson, Drexel University

Session Chairs

Talat Rahman

In this Session