New Computational Technique Investigates Charge Transfer in DNA

Amiel Paz, a 2023 NYU Shanghai Chemistry PhD graduate, and Chemistry Assistant Professor William Glover developed an efficient computational technique to find configurations of molecules that stabilize charge-separated states. With this approach, they were able to explore how changes in DNA's molecular configurations can affect the rate at which an electron transfers between the nucleobases, giving insight into DNA’s electrical conductance and its damage by radiation. 

Their paper was highlighted as a Featured Article and selected as the cover article of the 20th issue of the Journal of Chemical Physics in May 2023, a top international journal in their field.