Dr. Isayev Receives NSF CAREER Award

Five-year grant to support research on machine learning potentials for chemistry

Award

Dr. Isayev Receives NSF CAREER Award

We are thrilled to announce that Dr. Olexandr Isayev has been awarded a prestigious NSF CAREER Award!

Award Details

Award: NSF CAREER: Machine Learning Potentials for Chemistry Funding: $650,000 over 5 years Agency: National Science Foundation, Division of Chemistry

Research Focus

This award will support the development of next-generation neural network potentials that combine quantum mechanical accuracy with classical force field speed. The research aims to:

  • Develop new machine learning architectures for molecular simulations
  • Create open-source software tools for the chemistry community
  • Train the next generation of computational chemists in AI methods
  • Build collaborations between chemistry, computer science, and materials science

Educational Impact

A key component of the CAREER program is education and outreach. Dr. Isayev will:

  • Develop new courses on machine learning for chemistry at CMU
  • Create online tutorials and educational materials
  • Mentor undergraduate and graduate researchers
  • Organize workshops to train researchers in ML methods

About the NSF CAREER Award

The NSF CAREER Award is one of the Foundation’s most prestigious awards in support of early-career faculty who have the potential to serve as academic role models in research and education.

Quote

“I’m honored to receive this recognition from NSF. This award will enable us to push the boundaries of what’s possible in computational chemistry and train the next generation of researchers who can bridge chemistry and artificial intelligence.” — Dr. Olexandr Isayev


Congratulations to Dr. Isayev and the entire lab team!