Professor Rigoberto Hernandez (Johns Hopkins University) Seminar

Title: Theory, Modeling and AI Advancing Sustainable Nanoparticles, Neuromorphic Materials and Energetic Materials Abstract: I will first briefly share how I see the world through the lens of computational, theoretical and data-enabled chemistry, and the solutions it offers to this century's challenges. Molecular dynamics, enhanced sampling, nonequilibrium statistical mechanics, coarse-graining, and machine learning are being used to characterize and predict nanomaterials. I will share our process in developing design rules for sustainable nanomaterials. Doing so has led us to reduce cytotoxity (mitigating negative consequences), and helped us in increasing crop yields (providing positive consequences.) Finally, I will share how we have used polymer-networked nanoparticles as a platform for neuromorphic computing. Bio: Dr. Rigoberto Hernandez serves as the Gompf Family Professor of Chemistry at Johns Hopkins University and directs the Open Chemistry Collaborative in Diversity Equity (OXIDE). Born in Güines, Cuba, he completed his B.S.E. in Chemical Engineering and Mathematics at Princeton (1989) and Ph.D. in Chemistry at UC Berkeley (1993). His research encompasses theoretical and computational chemistry alongside work in diversity and equity within the sciences. He has authored over 195 publications in these areas. His contributions have been recognized through awards including the NSF CAREER Award, Sloan Fellowship, ACS Award for Encouraging Disadvantaged Students, RCSA STAR Award, Herty Medal, and Humboldt Research Prize. He is a Fellow of AAAS, ACS, APS, and the Royal Society of Chemistry. He is serving as ACS President in 2026. See more of Dr. Hernandez's research on his website: https://sites.krieger.jhu.edu/hernandez-lab/