Computational Studies of Biophysical Systems

Chemical engineers are at the forefront of the invention and development of powerful algorithms for the molecular-based analysis of complex systems and problems, such as developing strategies for the long-term preservation of therapeutic drugs. Building upon a solid foundation in thermodynamics and statistical mechanics, these methods allow detailed microscopic scrutiny of a wide range of problems of interest in modern chemical engineering, thereby providing fundamental understanding and facilitating rational design. I will illustrate the insights that can be gained from theory and computation by drawing on examples from my own research in areas including proteins in water-lean environments, proteins at low temperatures, hydrophobically-driven self-assembly, and chiral symmetry breaking.