| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5912 | 2023 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling 63 (20), 6183-6191, 2023 | 638 | 2023 |
| Amber 2022 C HMADA, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, DS Cerutti, ... San Francisco.: University of California, 2022 | 34* | 2022 |
| and KM Merz Jr.* AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWDC Eiro, ... J. Chem. Inf. Model 63, 6183-6191, 2023 | 20 | 2023 |
| Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers A Shajan, M Manathunga, AW Götz, KM Merz Jr Journal of Chemical Theory and Computation, 2023 | 8 | 2023 |
| QUICK-22.03 M Manathunga, A Shajan, TJ Giese, VWD Cruzeiro, J Smith, Y Miao, X He, ... University of California San Diego, CA and Michigan State University, East …, 2022 | 6 | 2022 |
| Accurate quantum-centric simulations of supramolecular interactions D Kaliakin, A Shajan, JR Moreno, Z Li, A Mitra, M Motta, C Johnson, ... arXiv preprint arXiv:2410.09209, 2024 | 4 | 2024 |
| Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory A Shajan, D Kaliakin, A Mitra, JR Moreno, Z Li, M Motta, C Johnson, ... arXiv preprint arXiv:2411.09861, 2024 | 3 | 2024 |
| Implicit solvent sample-based quantum diagonalization D Kaliakin, A Shajan, F Liang, KM Merz Jr arXiv preprint arXiv:2502.10189, 2025 | | 2025 |
| Amber 2023 DA Case, KB HMA, IY Ben-Shalom, JT Berryman, SR Brozell, DS Cerutti, ... University of California, 2023 | | 2023 |
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityVerified email at msu.edu