William L. Jorgensen (born October 5, 1949, New York) is a Sterling Professor of Chemistry at Yale University. He is considered a pioneer in the field of computational chemistry. Some of his contributions include the TIP3P, TIP4P, and TIP5P water models, the OPLS force field, and his work on free-energy perturbation theory for modeling reactions in solution, protein-ligand binding, and drug design; he has over 450 publications in the field. Jorgensen was the Editor of the ACS Journal of Chemical Theory and Computation from its founding in 2005 until 2022.
He has also received the ACS Award for Computers in Chemical and Pharmaceutical Research, the ACS Hildebrand Award, the Tetrahedron Prize, and Arthur C. Cope Award.