Edward Valeev

Edward Valeev is a Professor in the Department of Chemistry at Virginia Polytechnic Institute and State University (Virginia Tech), part of the College of Science. His research focuses on developing advanced electronic structure methods and high-performance computing frameworks for chemistry and materials science.

Education:

• M.S., Higher Chemistry College of Russian Academy of Sciences, Moscow, Russia (1996)
• Ph.D., University of Georgia (2000)

Research Interests:

Dr. Valeev pioneers methods like reduced-scaling wave function approaches, real-space orbital representations, and quantum computing applications. His work emphasizes tensor compression (tensor networks) and software development (e.g., MPQC, Libint, TiledArray). Key areas include density functional theory corrections, periodic systems, and exascale computing.

Key Contributions:

His group develops open-source software like MPQC, enabling distributed-memory parallel computing. Their methods address challenges in predicting molecular properties and materials behavior at scale.

Awards:

• Blavatnik National Award Finalist (2016)
• Dirac Medal (2015)
• Kavli Fellow (2013)

Advising & Grants:

Funded by NSF, DOE, and others, his research supports next-generation computational tools. Collaborations include developing quantum algorithms and exascale-ready software frameworks.

Labs & Teams:

Leads the Valeev Research Group, advancing theoretical chemistry and computational infrastructure.