Rigoberto Hernandez

Dr. Rigoberto Hernandez is the Gompf Family Professor in the Department of Chemistry at Johns Hopkins University and holds courtesy appointments in Chemical and Biomolecular Engineering and Materials Science and Engineering. He previously served as a Professor at Georgia Tech from 1996 to 2016, where he rose through the academic ranks and co-founded the Center for Computational Molecular Science and Technology.

• Department of Chemistry, Johns Hopkins University (2016–present)
• School of Chemistry and Biochemistry, Georgia Tech (1996–2016)
• Postdoctoral Fellow, University of Pennsylvania (1995–1996)
• Postdoctoral Fellow, Weizmann Institute of Science (1994)

Dr. Hernandez earned his B.S.E. in Chemical Engineering and Mathematics from Princeton University (1989) and his Ph.D. in Chemistry from the University of California, Berkeley (1993) under William H. Miller.

His research focuses on theoretical and computational chemistry of systems far from equilibrium. Key areas include:

• Transition state theory and non-recrossing dividing surfaces
• Protein folding and molecular dynamics
• Sustainable nanotechnology and nanomaterial-biological interactions
• Autonomous computing materials using nanoparticle networks
• Machine learning applications in chemistry
• Nonequilibrium statistical mechanics in complex environments

His recent publications reveal a strong emphasis on developing geometric and dynamical methods for precise reaction rate calculations and simulating emergent behaviors in engineered nanomaterials. These works are deeply interdisciplinary, combining physics, chemistry, materials science, and computational modeling.

Dr. Hernandez has received numerous honors, including:

• NSF CAREER Award
• Cottrell Scholar Award
• Alfred P. Sloan Fellowship
• Multiple ACS awards for diversity
• Fellowships from AAAS, ACS, APS, and RSC
• RCSA TREE and IMPACT Awards
• Herty Medal

He is a dedicated mentor and leader in academic service. He directs the Open Chemistry Collaborative in Diversity Equity (OXIDE), which works with chemistry departments nationwide to advance DEI. He has advised numerous graduate students and postdocs, many of whom are listed among his current and former group members. His research is funded by the National Science Foundation, Department of Energy, and the Sloan Foundation. He has served on the American Chemical Society Board of Directors (2014–2019, 2025–2027) and will serve as ACS President in 2026.

Dr. Hernandez leads the Hernandez Lab at JHU, which develops and applies advanced computational methods to complex chemical systems. The lab collaborates with institutions such as the Molecular Sciences Software Institute (MolSSI) and the Center for Sustainable Nanotechnology (CSN). His team includes research scientists, postdoctoral fellows, and graduate students working on projects like ASMD, ACM/ACAMM, and sustainable nanotechnology.