Roman Krems


Department of Chemistry

Current Projects

  • Exploring ways to accelerate quantum dynamics calculations with machine learning and combine quantum computing with machine learning for interesting applications

Selected Publications

  1. F. Suzuki, M. Lemeshko, W. H. Zurek, R. V. Krems. Anderson localization of composite particles. Phys. Rev. Lett. 127, 160602 (2021).
  2. R. V. Krems. Bayesian Machine Learning for Quantum Molecular Dynamics. Phys. Chem. Chem. Phys. 21, 13392 (2019).
  3. R. A. Vargas-Hernández, J. Sous, M. Berciu, R.V. Krems. Extrapolating Quantum Observables with Machine Learning: Inferring Multiple Phase Transitions from Properties of a Single Phase. Phys. Rev. Lett. 121, 255702 (2018).