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
Fall 2018 / Fall 2019 / Fall 2020
One-semester lecture and recitation course designed for engineering students with more advanced chemistry backgrounds. 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 prerequisite: 4 or 5 on the AP Chemistry exam or passing placement exam score. Recommended corequisite: CHEM 1221. Duplicate Degree Credit Not Granted: CHEM 1021 or 1113 or CHEM 1400 or CHEN 1201 or CHEN 1203 or MCEN 1024.