| Transfer learning to CCSD (T): Accurate anharmonic frequencies from machine learning models S Kaser, ED Boittier, M Upadhyay, M Meuwly Journal of Chemical Theory and Computation 17 (6), 3687-3699, 2021 | 38 | 2021 |
| Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling BC Sweeny, H Pan, A Kassem, JC Sawyer, SG Ard, NS Shuman, ... Physical Chemistry Chemical Physics 22 (16), 8913-8923, 2020 | 19 | 2020 |
| Tomography of Feshbach resonance states B Margulis, KP Horn, DM Reich, M Upadhyay, N Kahn, A Christianen, ... Science 380 (6640), 77-81, 2023 | 18 | 2023 |
| Thermal and Vibrationally Activated Decomposition of the syn-CH3CHOO Criegee Intermediate M Upadhyay, M Meuwly ACS Earth and Space Chemistry 5 (12), 3396-3406, 2021 | 15 | 2021 |
| CHARMM at 45: Enhancements in accessibility, functionality, and speed W Hwang, SL Austin, A Blondel, ED Boittier, S Boresch, M Buck, ... The Journal of Physical Chemistry B 128 (41), 9976-10042, 2024 | 14 | 2024 |
| Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water M Upadhyay, M Pezzella, M Meuwly The journal of physical chemistry letters 12 (29), 6781-6787, 2021 | 13 | 2021 |
| Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of syn-Acetaldehyde Oxide M Upadhyay, K Topfer, M Meuwly The Journal of Physical Chemistry Letters 15 (1), 90-96, 2023 | 9 | 2023 |
| Energy Redistribution Following CO2 Formation on Cold Amorphous Solid Water M Upadhyay, M Meuwly Frontiers in chemistry 9, 827085, 2022 | 7 | 2022 |
| Quantitative molecular simulations K Töpfer, M Upadhyay, M Meuwly Physical Chemistry Chemical Physics 24 (21), 12767-12786, 2022 | 7 | 2022 |
| Quantum and quasi-classical dynamics of the C (3 P)+ O 2 (3 Σ− g)→ CO (1 Σ+)+ O (1 D) reaction on its electronic ground state S Goswami, JCSV Veliz, M Upadhyay, RJ Bemish, M Meuwly Physical Chemistry Chemical Physics 24 (38), 23309-23322, 2022 | 6 | 2022 |
| CO2 and NO2 formation on amorphous solid water M Upadhyay, M Meuwly Astronomy & Astrophysics 689, A319, 2024 | 1 | 2024 |
| Feshbach resonances in cold collisions as a benchmark for state of the art ab initio theory KP Horn, M Upadhyay, B Margulis, DM Reich, E Narevicius, M Meuwly, ... arXiv preprint arXiv:2408.13197, 2024 | 1 | 2024 |
| OH-Formation following vibrationally induced reaction dynamics of H 2 COO K Song, M Upadhyay, M Meuwly Physical Chemistry Chemical Physics 26 (16), 12698-12708, 2024 | 1 | 2024 |
| Oxygenation of CO and NO on Amorphous Solid Water M Upadhyay, M Meuwly arXiv preprint arXiv:2403.15141, 2024 | | 2024 |
| Atomistic simulations of molecule formation and decomposition: from astrophysics to atmospheric chemistry M Upadhyay University_of_Basel, 2024 | | 2024 |
| Quantum Tomography of Feshbach Resonance States B Margulis, K Horn, D Reich, M Upadhyay, M Pawlak, M Meuwly, ... APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2022 …, 2022 | | 2022 |
