معرفی
Jesse McDaniel is an Associate Professor in the College of Sciences at the Georgia Institute of Technology, where his research bridges electronic structure theory and molecular simulation to predict chemical reactivity in complex environments. His work focuses on developing multi-scale modeling methods and software for electrochemical applications.
His educational background includes:
- B.A. from Washington University in St. Louis (2008)
- Ph.D. from the University of Wisconsin-Madison (2014)
Dr. McDaniel's research spans Computational Chemistry, Physical Electrochemistry, and Electrosynthesis. His group develops ab initio force fields and quantum embedding approaches to study chemical reactivity at interfaces, with current emphasis on radical ion behavior in electrochemical environments, free energy simulations for reaction optimization, and structure/dynamics of ionic liquids. This work enables predictive modeling for energy applications and electrosynthetic processes.
Analysis of his 2023-2025 publications reveals dominant themes in computational electrochemistry, particularly ionic liquid behavior and electrosynthesis mechanisms. His work consistently integrates molecular dynamics with quantum mechanical methods to address interfacial phenomena, showing increasing focus on software development (e.g., PyDFT-QMMM) and predictive modeling for energy-water systems.
His scientific recognition includes:
- National Science Foundation CAREER Award (2023)
- Georgia Tech College of Sciences Teaching Honor Roll (2024)
- Charles and Martha Casey Award, UW-Madison (2014)
- Hypercube Scholar Award, Washington University (2008)
Dr. McDaniel leads an active research group supported by significant grants including the NSF CAREER award. His team mentors graduate students in computational chemistry while developing open-source tools for the scientific community. Current projects focus on predictive modeling for electrochemical interfaces and energy applications.
The McDaniel Research Group operates within Georgia Tech's College of Sciences, utilizing high-performance computing resources to advance fundamental understanding of electrochemical systems while maintaining strong industry and academic collaborations.
