• Contact Info
Publications in VIVO

Shirts, Michael R Associate Professor


Research Areas research areas


research overview

  • 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


selected publications


courses taught

  • CHEN 1211 - General Chemistry for Engineers
    Primary Instructor - Fall 2018 / Fall 2019
    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.
  • CHEN 4838 - Special Topics in Chemical Engineering
    Primary Instructor - Spring 2019
  • CHEN 5838 - Special Topics in Chemical Engineering
    Primary Instructor - Spring 2019
    Graduate-selected topics courses offered upon demand. May be repeated up to 6 total credit hours.
  • CHEN 5919 - Special Topics in CHBE
    Primary Instructor - Spring 2018 / Spring 2019 / Spring 2020
    May be repeated up to 5 total credit hours.
  • CHEN 6950 - Master's Thesis
    Primary Instructor - Fall 2019


awards and honors

International Activities

Other Profiles