Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 7 Affordable and Clean Energy
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The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Fluorine with a Future: Integrating Function and Environmental Degradability into Molecular Design
Arnold, B. (PI), Pomerantz, W. C. (PI), Sarupria, S. (PI) & Behrens, S. F. (Co-Principal Investigator)
THE NATIONAL SCIENCE FOUNDATION
8/1/26 → 7/31/29
Project: Research project
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Bespoke Micellar Nanoparticles (MNPs) for In Vivo Delivery of Digital Base Editor Treatments for Primary Immunodeficiency Disease
McIvor, R. S. (PI), Moriarity, B. S. (PI), Reineke, T. M. (PI), Sarupria, S. (PI), Chang, J. W. (Other Role), Diers, M. D. (Other Role) & Stelljes, E. (Other Role)
NIH NATIONAL INST OF ALLERGY & INFECT DI
9/11/25 → 8/31/27
Project: Research project
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Collaborative Research: Frameworks: Enabling reproducible research in soft materials with the Multiscale Polymer Toolkit (MuPT)
Sarupria, S. (PI)
THE NATIONAL SCIENCE FOUNDATION
10/1/24 → 9/30/27
Project: Research project
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NRT-HDR: Data-Driven Discovery and Engineering from Atoms to Processes (3DEAP)
Daoutidis, P. (PI), Sarupria, S. (CoI), Bartel, C. J. (Other Role), Boehnke, N. (Other Role), Karypis, G. (Other Role), Reineke, T. M. (Other Role), Tadmor, E. B. (Other Role) & Zhang, Q. (Other Role)
THE NATIONAL SCIENCE FOUNDATION
9/1/24 → 8/31/29
Project: Research project
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Sampling nucleation and growth in solution and reactive systems using molecular simulations
Sarupria, S. (PI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/24 → 6/30/27
Project: Research project
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Cracking the Capsid Code: A Computationally Feasible Approach for Investigating Virus–Excipient Interactions in Biologics Design
Zajac, J. W. P., Tohidian, I., Muralikrishnan, P., Perry, S. L., Heldt, C. L. & Sarupria, S., Mar 10 2026, In: Journal of Chemical Theory and Computation. 22, 5, p. 2635-2651 17 p.Research output: Contribution to journal › Article › peer-review
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Solvent-Inclusive ML/MM Simulations: Assessments of Structural, Dynamical, and Thermodynamic Accuracy
Gopal, V., Kirkvold, C., Gordon, A., Goodpaster, J. D. & Sarupria, S., Jan 12 2026, In: Journal of Chemical Information and Modeling. 66, 1, p. 110-121 12 p.Research output: Contribution to journal › Article › peer-review
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Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Minh, P., Hall, S. W., DeFever, R. S. & Sarupria, S., Sep 4 2025, In: Journal of Physical Chemistry B. 129, 35, p. 8976-8990 15 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Link opens in a new tab Scopus citations -
Flipping out: role of arginine in hydrophobic interactions and biological formulation design
Zajac, J. W. P., Muralikrishnan, P., Tohidian, I., Zeng, X., Heldt, C. L., Perry, S. L. & Sarupria, S., Mar 11 2025, In: Chemical Science. 16, 16, p. 6780-6792 13 p.Research output: Contribution to journal › Article › peer-review
Open Access9 Link opens in a new tab Scopus citations -
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories
Hall, S. W., Minh, P. & Sarupria, S., Apr 22 2025, In: Journal of Chemical Theory and Computation. 21, 8, p. 4121-4133 13 p.Research output: Contribution to journal › Article › peer-review
4 Link opens in a new tab Scopus citations