| Communication: Reactivity borrowing in the mode selective chemistry of H+ CHD3→ H2+ CD3 R Ellerbrock, U Manthe The Journal of Chemical Physics 147 (24), 2017 | 47 | 2017 |
| Full-dimensional quantum dynamics calculations for H+ CHD3→ H2+ CD3: The effect of multiple vibrational excitations R Ellerbrock, U Manthe The Journal of Chemical Physics 148 (22), 2018 | 39 | 2018 |
| H+ CH4→ H2+ CH3 initial state-selected reaction probabilities on different potential energy surfaces R Ellerbrock, U Manthe Chemical Physics 482, 106-112, 2017 | 27 | 2017 |
| Natural Reaction Channels in H+CHD3 R Ellerbrock, U Manthe Faraday Discussions, 2018 | 22 | 2018 |
| S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering U Manthe, R Ellerbrock The Journal of Chemical Physics 144 (20), 2016 | 20 | 2016 |
| Vibrational control of the reaction pathway in the H + CHD3→ H2 + CD3 reaction R Ellerbrock, B Zhao, U Manthe Science Advances 8 (13), 2022 | 8 | 2022 |
| A non-hierarchical correlation discrete variable representation R Ellerbrock, U Manthe J. Chem. Phys. 156 (13), 134107, 2022 | 6 | 2022 |
| A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations R Ellerbrock, H Hoppe, U Manthe The Journal of Chemical Physics 158 (24), 244103, 2023 | 5 | 2023 |
| A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines R Ellerbrock, TJ Martinez The Journal of Chemical Physics 153 (5), 2020 | 5 | 2020 |
| A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4 R Ellerbrock, U Manthe, J Palma The Journal of Physical Chemistry A 123 (33), 7237-7245, 2019 | 5 | 2019 |
| Tensor quantum programming A Termanova, A Melnikov, E Mamenchikov, N Belokonev, S Dolgov, ... New Journal of Physics 26 (12), 123019, 2024 | 4 | 2024 |
| A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces R Ellerbrock, H Hoppe, U Manthe The Journal of Chemical Physics 160 (22), 224108, 2024 | 3 | 2024 |
| QuTree: A tree tensor network package R Ellerbrock, KG Johnson, S Seritan, H Hoppe, JH Zhang, T Lenzen, ... The Journal of Chemical Physics 160 (11), 2024 | 2 | 2024 |
| Tensor Train Optimization for Conformational Sampling of Organic Molecules C Zurek, R Mallaev, A Paul, N van Staalduinen, P Pracht, R Ellerbrock, ... ChemRxiv, 2024 | 1 | 2024 |
| Quantum state-resolved reactivity of methane and its isotopic analogues R Ellerbrock | | 2018 |
Uwe MantheTheoretische Chemie, Fakultät für Chemie, Universität BielefeldVerified email at uni-bielefeld.de