| SHARC3. 0: Surface Hopping Including Arbitrary Couplings Program Package for Non-Adiabatic Dynamics, 2023 F Plasser, S Polonius, M Ruckenbauer, Y Shu, DG Truhlar, L Zhang, ... DOI, 0 | 12 | |
| qcscine/utilities: Release 2.0.0 F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ... M. qcscine/utilities: Release 2 (0), 0, 2020 | 7* | 2020 |
| LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in … S Polonius, O Zhuravel, B Bachmair, S Mai Journal of Chemical Theory and Computation 19 (20), 7171-7186, 2023 | 6 | 2023 |
| qcscine/sparrow: Release 3.0. 0 F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ... ETH Zurich, Laboratory of Physical Chemistry, 2021 | 5 | 2021 |
| Resolving Photoinduced Femtosecond Three-Dimensional Solute–Solvent Dynamics through Surface Hopping Simulations S Polonius, D Lehrner, L González, S Mai Journal of Chemical Theory and Computation, 2024 | 3 | 2024 |
| Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model T Piteša, S Polonius, L González, S Mai Journal of Chemical Theory and Computation, 2024 | 2 | 2024 |
| Reiher, M. qcscine/sparrow. 2023 F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ... | 2 | |
| qcscine/Utilities: Release 8.0. 0. 2023 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... | 2 | |
| qcscine/sparrow: Release 5.1. 0 F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ... | 1 | 2024 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... CERN, 2023 | 1 | 2023 |
| Ultrafast Solvent Migration in an Iron Complex Revealed by Nonadiabatic Dynamics Simulations S Polonius, L González, S Mai | | 2025 |
| sharc-md/sharc: SHARC Release 3.0 S Mai, D Avagliano, M Heindl, P Marquetand, MFSJ Menger, M Oppel, ... https://zenodo.org/record/7828641, 2023 | | 2023 |
| A Linear Vibronic Coupling/Molecular Mechanics Method and Analysis of Large-Scale Simulations of Nonadiabatic Solute–Solvent Dynamics SCC Polonius | | |
