- Machine learning potentials for complex aqueous made2021 | Matematicko-fyzikální fakulta
- Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations2023 | Matematicko-fyzikální fakulta
- Reducing the Cost of Neural Network Potential Generation for Reactive Molecular Systems2023 | Matematicko-fyzikální fakulta
- Constructing Collective Variables Using Invariant Learned Representations2023 | Matematicko-fyzikální fakulta, Přírodovědecká fakulta
- The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range2018 | Matematicko-fyzikální fakulta