Erik Santiso

Erik Santiso is an Associate Professor & University Faculty Scholar at NC State University's Department of Chemical and Biomolecular Engineering, part of the College of Engineering. His research group focuses on computational discovery of advanced materials and chemicals using molecular modeling, metaheuristic sampling, and machine learning. Key applications include catalyst design, biomimetic polymers, green surfactants for CO₂/water systems, and polymeric materials with exceptional mechanical properties. The group also explores oxygen conductors for chemical looping combustion and microprocessor manufacturing through simulations.

His work bridges theoretical and applied chemistry, emphasizing predictive tools like the DESPASITO package for SAFT EOS parametrization. Santiso has received the Sigma Xi Young Faculty Research Award, recognizing his contributions to computational materials science. The Santiso Research Group collaborates across disciplines to tackle challenges in energy, environment, and biomedical engineering.

• Lab/Team: Santiso Research Group
• Key Projects: Crystal nucleation modeling, peptoid structure prediction, CO₂ sequestration, and drug delivery systems

Publications emphasize interdisciplinary approaches, with over 50 peer-reviewed articles since 2016. His research often integrates quantum chemistry, atomistic simulations, and mesoscopic methods to accelerate material discovery.