Conditioning Boltzmann generators for rare event sampling S Falkner, A Coretti, S Romano, PL Geissler, C Dellago Machine Learning: Science and Technology 4 (3), 035050, 2023 | 21* | 2023 |
Kinetic pathways of water exchange in the first hydration shell of magnesium: Influence of water model and ionic force field S Falkner, N Schwierz The Journal of Chemical Physics 155 (8), 2021 | 17 | 2021 |
Learning mappings between equilibrium states of liquid systems using normalizing flows A Coretti, S Falkner, P Geissler, C Dellago arXiv preprint arXiv:2208.10420, 2022 | 8 | 2022 |
Combining coarse-grained simulations and single molecule analysis reveals a three-state folding model of the Guanidine-II riboswitch C Fuks, S Falkner, N Schwierz, M Hengesbach Frontiers in molecular biosciences 9, 826505, 2022 | 7 | 2022 |
Boltzmann Generators and the New Frontier of Computational Sampling in Many-Body Systems A Coretti, S Falkner, J Weinreich, C Dellago, OA von Lilienfeld arXiv preprint arXiv:2404.16566, 2024 | 4 | 2024 |
Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange S Falkner, A Coretti, C Dellago Physical Review Letters 132 (12), 128001, 2024 | 4 | 2024 |
Revisiting shooting point Monte Carlo methods for transition path sampling S Falkner, A Coretti, B Peters, PG Bolhuis, C Dellago arXiv preprint arXiv:2408.03054, 2024 | 1 | 2024 |