The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts R Tran, J Lan, M Shuaibi, BM Wood, S Goyal, A Das, J Heras-Domingo, ... ACS Catalysis 13 (5), 3066-3084, 2023 | 79 | 2023 |
Metastable materials discovery in the age of large-scale computation F Therrien, EB Jones, V Stevanović Applied Physics Reviews 8 (3), 2021 | 23 | 2021 |
Matching crystal structures atom-to-atom F Therrien, P Graf, V Stevanović The Journal of chemical physics 152 (7), 2020 | 17 | 2020 |
Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis V Stevanović, R Trottier, C Musgrave, F Therrien, A Holder, P Graf Physical Review Materials 2 (3), 033802, 2018 | 17 | 2018 |
Minimization of atomic displacements as a guiding principle of the martensitic phase transformation F Therrien, V Stevanović Physical Review Letters 125 (12), 125502, 2020 | 8 | 2020 |
Theoretical Insights for Improving the Schottky-Barrier Height at the Interface F Therrien, A Zakutayev, V Stevanović Physical Review Applied 16 (6), 064064, 2021 | 6 | 2021 |
Matching Crystal Structures Atom-To-Atom: Applications in Material Science F Therrien Colorado School of Mines, 2021 | | 2021 |
Predicting Electronic Properties at Metal-Oxide Interfaces F Therrien, V Stevanovic APS March Meeting Abstracts 2021, B41. 001, 2021 | | 2021 |
Matching Crystal Structures Atom-to-Atom: Applications to Phase Transitions and Interface Structures F Therrien, P Graf, V Stevanovic Bulletin of the American Physical Society 65, 2020 | | 2020 |