Jonathan Whitmer
Concurrent Associate Professor
- Office
- 374 Nieuwland Science Hall
Notre Dame, IN 46556 - Phone
- +1 574-631-1417
- jwhitme1@nd.edu
Research Areas
- Physical/Analytical Chemistry
Research Specialties
- Materials
- Theory
Prospective Graduate Students
Biography
Year | Title |
---|---|
2020-Present | Concurrent Associate Professor, Department of Chemistry & Biochemistry, University of Notre Dame |
2020-Present | Associate Professor, Department of Chemical & Biomolecular Engineering, University of Notre Dame |
2014-2020 | Assistant Professor, Department of Chemical & Biomolecular Engineering, University of Notre Dame |
2013-2014 | Postdoctoral Scientist, Argonne National Laboratory |
2011-2013 | Postdoctoral Research Associate, Department of Chemical & Biological Engineering, University of Wisconsin |
2011 | Ph.D. in Physics, University of Illinois |
2009 | M.S. in Physics, University of Illinois |
2005 | B.S. in Physics and Mathematics, summa cum laude, Kansas State University |
Selected Awards
2018 NSF CAREER Award
2018 Emerging Investigator in Materials Science, Materials Research Express
Selected Publications
- Rico, P.; Schneider, L.; Pérez-Lemus, G. R.; Alessandri, R.; Dasetty, S.; Nguyen, T. D.; Menéndez, C. A.; Wu, Y. H.; Jin, Y. Z.; Xu, Y. N.; Varner, S.; Parker, J. A.; Ferguson, A. L.; Whitmer, J. K. and de Pablo, J. J. "PySAGES: Flexible, Advanced Sampling Methods Accelerated with GPUs" 2024 NPJ Computational Materials, 10 (1), 35. DOI: 10.1038/s41524-023-01189-z.
- Gonzalez-Perez, R.; Adams, S.; Dowling, A. W.; Phillip, W. A. and Whitmer, J. K. "Thermodynamics of Li+-Crown Ether Interactions in Aqueous Solvent" 2023 Journal of Physical Chemistry A, 127 (21), pp.4624-4631. DOI: 10.1021/acs.jpca.3c00094.
- Shi, J. L.; Albreiki, F.; Colon, Y. J.; Srivastava, S. and Whitmer, J. K. "Transfer Learning Facilitates the Prediction of Polymer-Surface Adhesion Strength" 2023 Journal of Chemical Theory and Computation, 19 (14), pp.4631-4640. DOI: 10.1021/acs.jctc.2c01314.
- Huang, Y. L.; Wang, W. Q.; Whitmer, J. K. and Zhang, R. "Structures, Thermodynamics and Dynamics of Topological Defects in Gay-Berne Nematic Liquid Crystals" 2023 Soft Matter, 19 (3), pp.483-496. DOI: 10.1039/d2sm01178f.
- Shi, J.; Quevillon, M. J.; Valenca, P. and Whitmer, J. K. "Predicting Adhesive Free Energies of Polymer-Surface Interactions with Machine Learning" 2022 ACS Applied Materials & Interfaces, 14 (32), pp.37161-37169. DOI: 10.1021/acsami.2c08891.
- Shi, J. L.; Huang, S. H.; Gygi, F. and Whitmer, J. K. "Free-Energy Landscape and Isomerization Rates of Au4 Clusters at Finite Temperatures" 2022 Journal of Physical Chemistry A, 126 (21), pp.3392-3400. DOI: 10.1021/acs.jpca.2c02732.