Assistant Professor
Affiliate Faculty Member, Computer Science & Electrical Engineering
Contact Information
AI & Theory-Oriented Molecular Science (ATOMS) Lab
Education
B.S. Chemical Engineering – University of Minnesota, 2011
Ph.D. Chemical Engineering – University of Delaware, 2017
Research Interests
- Using molecular simulation to understand adsorption and catalysis in nanoporous materials
- Developing artificial intelligence tools to learn complex relationships in material performance and thermodynamic properties
- Applying these tools to gain molecular-scale insights on processes in the environment to enable new solutions for cleaner air and water
Select Publications – Google Scholar
- Josephson, T.R.; Dauenhauer, P.J.; Tsapatsis, M.; Siepmann, J.I. Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations. Journal of Computational Science 48, 101267. (2021)
- Rahbari, A.; Josephson, T.R.; Sun, Y.; Moultos, O.A.; Dubbeldam, D.; Siepmann, J.I.; Vlugt, T.JH. Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation. Fluid Phase Equilibria 523, 112785 ,(2020).
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Josephson, T. R., Singh, R., Minkara, M. S., Fetisov, E. O., and Siepmann, J. I. “Partial molar properties from molecular simulation using multiple linear regression.” Molecular Physics, 117, 2019.
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Josephson, T. R., DeJaco, R. F., Pahari, S., Ren, L., Guo, Q., Tsapatsis, M., Siepmann, J. I., Vlachos, D. G., Caratzoulas, S. “Cooperative catalysis by surface Lewis acid/silanol for selective fructose etherification on Sn-SPP zeolite.” ACS Catalysis, 8, 2018.
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Josephson, T. R., Jenness, G. R., Caratzoulas, S., Vlachos, D. G. “Distribution of open sites in the Sn-Beta zeolite.” Microporous and Mesoporous Materials, 245, 2017.