Dr. Shirts's group designs and characterizes new materials at the nanoscale through the use of theory and computation. The group's focus include drug design through prediction of physical properties and binding affinities and the design of novel biomimetic materials. Dr. Shirts is especially interested in the development of computational tools that can fundamentally change molecular design by making searches through chemical and configurations space much more predictive, reliable and efficient.
Molecular simulation, biophysics, organic crystals, molecular details of transport, thermodynamics, statistical mechanics, drug design, software development
CHEN 1211 - General Chemistry for Engineers
One-semester lecture and recitation course designed to meet the general chemistry requirement for engineering students. Topics include stoichiometry; thermodynamics; gases, liquids, and solids; equilibrium; acids and bases; bonding concepts; kinetics; reactions; and materials science. Examples and problems illustrate the application of chemistry to engineering sub-disciplines. Department enforced prerequisites: one year of high school chemistry or CHEM 1021 (min. grade C-) and high school algebra. Recommended corequisite: CHEM 1221. Not recommended for students with grade below B- in CHEM 1021. Credit not granted for this course and CHEM 1113 or CHEM 1114 or CHEM 1400 or MCEN 1024.