Classes
Publications
- Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations2023 | Faculty of Mathematics and Physics
- Reducing the Cost of Neural Network Potential Generation for Reactive Molecular Systems2023 | Faculty of Mathematics and Physics
- Electronic structure of the solvated benzene radical anion2022 | Faculty of Mathematics and Physics
- Benzene Radical Anion Microsolvated in Ammonia Clusters: Modeling the Transition from an Unbound Resonance to a Bound Species2021 | Faculty of Mathematics and Physics
- Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics2021 | Faculty of Mathematics and Physics
- Significance Of Nuclear Quantum Effects In Hydrogen Bonded Molecular Chains2021 | Faculty of Mathematics and Physics
- Machine learning potentials for complex aqueous made2021 | Faculty of Mathematics and Physics
- Photoelectron spectra of alkali metal-ammonia microjets: From blue electrolyte to bronze metal2020 | Faculty of Mathematics and Physics
- Committee neural network potentials control generalization errors and enable active learning2020 | Faculty of Mathematics and Physics
- Benzene Radical Anion in the Context of the Birch Reduction: When Solvation Is the Key2020 | Faculty of Mathematics and Physics
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