Monte Carlo simulations of water pollutant adsorption at parts-per-billion concentration: A study on 1,4-dioxane
Sharlin, S., Lozano, R., & Josephson, T. R. ChemRxiv. 2024.Incorporating Background Knowledge in Symbolic Regression using a Computer Algebra System
Fox, C., Tran, N., Nacion, N., Sharlin, S., & Josephson, T. R. arXiv. 2023.Formalizing Chemical Physics using the Lean Theorem Prover
Bobbin, M. P., Sharlin, S., Feyzishendi, P., Dang, A. H., Wraback, C. M., & Josephson, T. R. Digital Discovery. 2023.AI Descartes: Combining data and theory for derivable scientific discovery
Cornelio, C., Dash, S., Austel, V., Josephson, T. R., Goncalves, J., Clarkson, K., Megiddo, N., Khadir, B.E. and Horesh, L. Nature Communications. 2023.Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations
Josephson, T. R.; Dauenhauer, P. J.; Tsapatsis, M.; Siepmann, J. I Journal of Computational Science. 2021.Interpretable Learning of Complex Multicomponent Adsorption Equilibria from Self-attention
Sun, Y., Josephson, T. R., Siepmann, J. I. ML4Molecules Workshop @ NeurIPS. 2020.Partial molar properties from molecular simulation using multiple linear regression
Josephson, T. R., Singh, R., Minkara, M. S., Fetisov, E. O., and Siepmann, J. I. Molecular Physics. 2019.Renewable lubricants with tailored molecular architecture
Liu, S., Josephson, T. R., Chen, Q. P., Norton, A. M., Siepmann, J. I., Saha, B., Vlachos, D. G.“ Science Advances. 2019.Cooperative catalysis by surface Lewis acid/silanol for selective fructose etherification on Sn-SPP zeolite
Josephson, T. R., DeJaco, R. F., Pahari, S., Ren, L., Guo, Q., Tsapatsis, M., Siepmann, J. I., Vlachos, D. G., Caratzoulas, S. ACS Catalysis. 2018.Distribution of open sites in the Sn-Beta zeolite
Josephson, T. R., Jenness, G. R., Caratzoulas, S., Vlachos, D. G. Microporous and Mesoporous Materials. 2017.