Adrian Roitberg has been awarded the AI Research Excellence Award presented by Alina Zare, director of AIIRI. Photo by Erin Ferraro.
Chemistry professor receives AI Research Excellence Award
The University of Florida’s Artificial Intelligence and Informatics Research Institute (AIIRI) has named Adrian Roitberg, Ph.D. professor of chemistry, as the recipient of the AI Research Excellence Award, recognizing his pioneering contributions to artificial intelligence and computational chemistry.
Roitberg’s work has transformed the way scientists model molecular systems by developing neural network models that replicate the accuracy or quantum mechanical calculations while reducing computational time by several orders of magnitude.
When scientists study molecules like water, sugar or proteins, they need to know the energy for each shape of the molecule, and the forces acting on each atom. That energy tells them how stable the molecule is and how it will react with other molecules. Traditionally, this was accomplished using a very accurate but much slower method such as DFT (Density Functional Theory).
But recently, Roitberg and his research team harnessed the power of HiPerGator, UF’s AI supercomputer, to simulate early-Earth chemical environments. This cutting-edge work demonstrates how physics informed AI can bridge chemistry, physics and biology to answer some of sciences most profound questions. His new models now allow researchers and industry leaders to accelerate discoveries in materials science, drug design and chemical engineering.
“We essentially opened pandora’s box, allowing researchers access to information they could only theorize previously,” Roitberg said of his research.
The AI Research Excellence Award is one of three inaugural honors presented by AIIRI as part of the AI Research Awards, which celebrate outstanding contributions that advance the frontiers of artificial intelligence research at the University of Florida. Jeremy Balch, Ph.D. with the College of Medicine was recognized with the AI Research Dissertation Award and Kiley Graim, Ph.D. with the Herbert Wertheim College of Engineering was recognized with the AI Research Early Career Award.
“UF was very deliberate and strategic in its approach to artificial intelligence,” said Roitberg. “Because of this long-term commitment, we now have a full community of AI innovators. AI is here. It’s not going anywhere.”
