2023
Finkler, Jonas Alexander.
Machine Learning in Atomistic Simulations: Enabling the Description of Charge Transfer Effects and Sampling Multi Funnel Systems with Global Monte Carlo Moves.
2023,
Doctoral Thesis, University of Basel,
Faculty of Science.
Käser, Silvan.
Machine learning potential energy surfaces for predictive simulations.
2023,
Doctoral Thesis, University of Basel,
Faculty of Science.
2022
Turan, Haydar Taylan.
Solvent, structure, and spectroscopy: the role of dynamics in chemical reactions and s-nitrosylated proteins.
2022,
Doctoral Thesis, University of Basel,
Faculty of Science.
2021
Najafian, Kaveh.
Quantum manipulation of a single trapped molecular ion.
2021,
Doctoral Thesis, University of Basel,
Faculty of Science.
Heinen, Stefan.
Quantum Machine Learning Applied to Chemical Reaction Space.
2021,
Doctoral Thesis, University of Basel,
Faculty of Science.
Salehi, Seyedeh Maryam.
Computational Infrared Spectroscopy: Reproducing Kernel- and Multipolar-Based Force Field Simulations for Site-Selective Dynamics of Proteins.
2021,
Doctoral Thesis, University of Basel,
Faculty of Science.
2020
Tahchieva, Diana Nikolaeva.
Assessment of Quantum and Machine Learning Methods for Molecular Property Predictions.
2020,
Doctoral Thesis, University of Basel,
Faculty of Science.
