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

  • 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).
  • J. Sous, M. Chakraborty, R.V. Krems, M. Berciu, Light Bipolarons Stabilized By Peierls Electron-Phonon Coupling, Phys. Rev. Lett. 121, 247001 (2018).
  • J. Huang, S. Liu, D.H. Zhang, R.V. Krems, Time-Dependent Wave Packet Dynamics Calculations Of Cross Sections For Ultracold Scattering Of Molecules, Phys. Rev. Lett. 120, 143401 (2018).
  • J. Cui, R.V. Krems, Gaussian Process Model For Collision Dynamics Of Complex Molecules, Phys. Rev. Lett. 115, 073202 (2015).
  • T.V. Tscherbul, R.V. Krems, Tuning Bimolecular Chemical Reactions By Electric Fields, Phys. Rev. Lett. 115, 023201 (2015).