Chemical Engineering’s Monroe Receives Department of Energy Early Career Award

Jacob Monroe, assistant professor in the Ralph E. Martin Department of Chemical Engineering, has been selected to receive an Early Career Award from the Department of Energy through a program designed to support researchers at the outset of their careers, when many scientists carry out some of their most formative work. 

Monroe and his project, which focuses on creating multiscale models, were selected for funding by the department’s Office of Basic Energy Sciences. According to a news release, this award is one of 93 from 27 states, representing 47 universities and 12 DOE National Laboratories. Monroe’s award, totaling around $875,000, is the only one in Arkansas this year. Monroe is the fifth U of A faculty member to receive DOE’s Early Career Award since the award was created in 2010. Monroe is the first recipient in the College of Engineering. 

Chemical Engineering Department head Keisha Bishop Walters is pleased but not surprised by this award.  

“Jacob Monroe is extremely talented. This award will allow him to find solutions for a fundamental problem in the field of computational modeling and make a significant impact on the scientific community while training students to join the workforce with cutting-edge knowledge and skills,” she said. 

The award comes from the department’s Early Career Research Program. Research topics must meet the scope of one of the department’s eight major program areas.  

“This is a fantastic opportunity coming at a critical time. I am extremely excited about this project. I hope it will not only provide new tools for researchers but also contribute unique perspectives concerning the incorporation of machine learning into molecular simulation,” Monroe said. 

CREATING A BETTER MODEL 

Monroe’s research involves computational models. His methods allow researchers to switch to and from two different resolutions of models of multiscale materials, including proteins and polymers. The two models are a coarse-grained model with a simplified resolution (e.g., representing a group of atoms as a single “bead”) and an atomistic model that explicitly resolves every atom.  

Switching between the two models allows Monroe to create a more comprehensive, multiscale understanding of materials. More accurate predictions of a material’s properties and behavior come from combining information at the single-molecule level with predictions of structures formed by thousands of interacting molecules. In his project supported by the Early Career Award, these models are used to study electrically conductive polymeric materials. 

Understanding the difference between the coarse-grained and atomistic models through Monroe’s research will advance multiscale modeling as a scientific practice. Eventually, such continued advances will benefit the design of advanced materials leading to eco-friendly electronics and wearable sensors. 

Monroe joined the Chemical Engineering Department in January. He earned his Ph.D. from the University of California, Santa Barbara, in 2019 and then conducted a National Research Council postdoctoral fellowship at the National Institute of Standards and Technology in Maryland. He leads the Monroe Molecular Simulation Group within the Ralph E. Martin Department of Chemical Engineering at the U of A.