UFIT Research Computing

Creating the Molecules of Life with HiPerGator

The University of Florida's HiPerGator, the most powerful supercomputer in higher education, is transforming the world of molecular research. Jinze Xue, a Ph.D. student in the Roitberg Computational Chemistry Group, recently conducted a large-scale early Earth molecular dynamics experiment using HiPerGator. The experiment utilized over 1,000 A100 GPUs on 22 million atoms to discover how complex molecules can form from the basic building blocks of life and to make the process automatic through large-scale computer simulations.