PhD in Chemistry - Theoretical Chemistry in Stony Brook United States | Stony Brook University, SUNY

The Chemistry Department, part of the College of Arts and Sciences, provides graduate programs culminating in Master of Arts in Teaching Chemistry, Master of Science, and Doctor of Philosophy degrees. Candidates pursuing the M.A.T. degree must enroll through the School of Professional Development. Doctoral students can select dissertation topics from any specialized chemistry field aligned with faculty expertise or opt for interdisciplinary research supervised by faculty from other departments. Collaborative opportunities exist with multiple programs, featuring optional focus areas in chemical physics and chemical biology.

Stony Brook conducts extensive theoretical research across diverse chemical domains. Electronic structure theory research focuses on developing computational methods and theoretical frameworks. These studies examine molecular geometries, spectral changes, and reaction mechanisms on metal surfaces, analyze highly excited Rydberg state structures, and compute multiphoton excitation probabilities along with Born corrections and orbital stresses in small molecules. Statistical mechanics research combines analytical methods with computational simulations to derive liquid and ionic solution properties from molecular characteristics and interactions. Key investigations include calculating pair correlation functions, transport properties, dielectric phase behaviors, solvent effects, and electron transfer reaction rates. Additional research explores photon-molecule interaction theories, quantum ensembles, Jahn-Teller dynamics, and quasistationary molecular state lifetimes. Students frequently engage in theoretical projects connected to experimental studies, working under the joint supervision of theoretical and experimental faculty.