Sapna Sarupria

Sapna Sarupria is an Associate Professor in the Department of Chemistry at the University of Minnesota with adjunct appointments at Michigan Technological University (Physics) and Clemson University (Chemical and Biomolecular Engineering). Her research develops cutting-edge computational methods to solve complex problems in condensed matter systems, with applications spanning sustainable energy, biotechnology, and public health.

Her academic background includes:

• PhD in Chemical Engineering from Rensselaer Polytechnic Institute (2009)
• MS in Chemical Engineering from Texas A&M University (2004)

Professor Sarupria's work centers on surface-driven phenomena using molecular modeling and statistical mechanics. The SAMPEL Lab (Simulations and Advanced Methods for Probing Energy Landscapes) pioneers rare event sampling techniques to study previously intractable processes like ice nucleation and protein-surface interactions. Current projects address critical challenges in water purification membranes, enzymatic reactions, and vaccine stabilization, combining method development with real-world applications in energy and biotechnology. Her research bridges computational chemistry with materials science and biophysics through innovative simulation approaches.

Recent 2025 publications demonstrate strong integration of machine learning with molecular simulation, particularly in polymorph prediction (LeaPP framework) and solvent-inclusive hybrid methods. Key themes include nucleation kinetics, virus-excipient interactions for biologics, and thermodynamic stabilization mechanisms. These works span computational chemistry, biophysics, and materials science, with consistent focus on developing transferable methodologies for condensed phase phenomena.

Professor Sarupria actively mentors students through the SAMPEL Lab's inclusive environment, currently advising 8 PhD candidates with diverse backgrounds. Her leadership extends to departmental DEI initiatives and national roles in AIChE and ACS. The lab maintains robust collaborations with experimental groups at multiple institutions, translating computational insights into practical solutions for membrane technology and biologic formulation. Students gain expertise in high-performance computing while contributing to projects with direct societal impact in water sustainability and vaccine development.