REU Site: Novel Techniques and Applications in Catalysis Research Development and Molecular Dynamics

This Research Experiences for Undergraduates (REU) site award to University of Pennsylvania, located in Philadelphia, PA, supports the training of 10 students for 10 weeks during the summers of 2027–2029. In this program, participants pursue collaborative research projects, resulting in the development of new catalysts providing alternatives that address pressing chemistry needs and ultimately lower energy costs, diminish waste, and contribute cost and resource efficient systems to meet today’s industrial demands. In addition to participating in front-line research, participants will learn to present their research findings in a professional setting and acquire soft skills for career development as they focus on science communication, networking, and preparation for graduate school in a chemistry related field. By providing research experiences enriched by cohort building, workshops, a poster session, a written report and a focus on mentorship, this site trains undergraduates for careers in STEM and strengthens connections between the University of Pennsylvania and primarily undergraduate institutions (PUIs) from around the nation. The REU students undertake individual projects encompassing a span of technology readiness levels from machine learning for fundamental molecular modeling to development of novel catalysts for various applications and using catalysis for materials synthesis. These projects include screening catalysts, using quantum mechanical modeling (quantum information science, QIS), AI and machine learning (AI/ML) driven optimization, and high throughput experimentation for applications such as electrocatalysis and targeted bond activation. The professional development series includes training on communicating science, ethical research, laboratory safety, and presenting the professional persona through social media. To support the science communication aspect, students meet regularly as a group, guided by senior Penn graduate students, as they learn, refine, and advance their summer research projects and prepare their presentations. Participants also receive opportunities for career exploration and networking through industry talks and access to professional networks with mentorship from Penn faculty and professional staff. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.