A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions S Bac, SJ Quiton, KJ Kron, J Chae, U Mitra, S Mallikarjun Sharada The Journal of Chemical Physics 156 (18), 2022 | 9 | 2022 |
A matrix completion algorithm to recover modes orthogonal to the minimum energy path in chemical reactions SJ Quiton, U Mitra, S Mallikarjun Sharada The Journal of Chemical Physics 153 (5), 2020 | 6 | 2020 |
Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm SJ Quiton, J Chae, S Bac, K Kron, U Mitra, S Mallikarjun Sharada Journal of Chemical Theory and Computation, 2022 | 4 | 2022 |
Kinetics and mechanistic details of bulk ZnO dissolution using a thiol–imidazole system KM Koskela, SJ Quiton, SM Sharada, TJ Williams, RL Brutchey Chemical Science 13 (11), 3208-3215, 2022 | 4 | 2022 |
The Staggered Mesh Method: Accurate Exact Exchange towards the Thermodynamic Limit for Solids SJ Quiton, H Wu, X Xing, L Lin, M Head-Gordon arXiv preprint arXiv:2402.13538, 2024 | | 2024 |
Beyond Conventional Transition State Theory in Catalysis: Applications of Matrix Completion Methods SM Sharada, SJ Quiton, S Bac, K Kron 2021 AIChE Annual Meeting, 2021 | | 2021 |
Towards Practical Matrix Completion Methods for Transition State Theory SJ Quiton, S Bac, K Kron, SM Sharada 2021 AIChE Annual Meeting, 2021 | | 2021 |
A Matrix Completion Algorithm to Recover Modes Orthogonal to the Minimum Energy Reaction Path SJ Quiton, SM Sharada, U Mitra 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Performing Quantum Chemical Computations at Different Levels of Theory to Predict Am (III) over Eu (III) Selectivity for DTPA-Based Ligands SJ Quiton, VS Bryantsev 2019 AIChE Annual Meeting, 2019 | | 2019 |