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News

Paper with Harish and Prachi is published in APL Machine Learning and chosen for the cover.

December 01, 2024

cover

Latest News

  • Our collaboration with Professor Harish Bhat to machine learn electron dynamics is published

    October 06, 2020

    Our paper, now published in the International Journal of Dynamics and Control, describes how we develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series...

    Read More Our collaboration with Professor Harish Bhat to machine learn electron dynamics is published
  • Chemical Review of Real-Time Electronic Structure Theory

    August 31, 2020

    Christine teams up with Xiaosong Li, Niri Govind, Ken Lopata, and Eugene DePrince for this Chem. Rev. article. Read all about TDHF, TDDFT, TD-CI, TD-CC, TD-CAS!

    Read More Chemical Review of Real-Time Electronic Structure Theory
  • Welcome new graduate students Madison and Andrew!

    August 24, 2020

    Madison brings experience working with Professor Makenzie Long to tackling problems in computational chemistry and Andrew brings enthusiasm for all things machine learning to tackle using all of our...

    Read More Welcome new graduate students Madison and Andrew!
  • Machine Learning Optical Spectroscopy - published in J. Phys. Chem. Lett.

    August 18, 2020

    Our work with the Markland group at Stanford now published in the Journal of Physical Chemistry Letters uses machine learning frameworks to dramatically accelerate the simulation of multidimensional...

    Read More Machine Learning Optical Spectroscopy - published in J. Phys. Chem. Lett.
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