Dr. Hai Long is a research scientist with NREL's Computational Science Center. His research interests are broadly in computational modeling for renewable energy generation and energy efficiency improvement. Specific areas include hydrogen generation and utilization, electron, proton, and ions transport in fuel cell and bioenergetics enzymes, and functional membrane structure modeling and in silico design.

Research Interests

Fuel cell membrane modeling 

Molecular dynamics simulation 

Proton transfer


Ph.D., Physical Chemistry, Northwestern University

B.S., Physical Chemistry, Peking University 

Featured Work

Hydroxide Degradation Pathways for Imidazolium Cations: A DFT Study, J. Phys. Chem. C (2014)

Proton Transport in Clostridium pasteurianum [FeFe] Hydrogenase I: A Computational Study, J. Phys. Chem. B (2014)