Found 67 results
Filters: Author is Vlachos, Dionisios G.  [Clear All Filters]
2020
U. Gupta and Vlachos, D. G., “Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems”, SoftwareX, vol. 11, p. 100442, 2020.
H. Goyal, Mehdad, A., Lobo, R. F., Stefanidis, G. D., and Vlachos, D. G., “Scaleup of a Single-Mode Microwave Reactor”, Industrial and Engineering Chemistry Research, vol. 59, pp. 2516–2523, 2020.
Z. Wang, Bhattacharyya, S., and Vlachos, D. G., “Solvent selection for biphasic extraction of 5-hydroxymethylfurfural: Via multiscale modeling and experiments”, Green Chemistry, vol. 22, pp. 8699–8712, 2020.
Z. Wang, Bhattacharyya, S., and Vlachos, D. G., “Solvent selection for biphasic extraction of 5-hydroxymethylfurfural: Via multiscale modeling and experiments”, Green Chemistry, vol. 22, pp. 8699–8712, 2020.
Y. Qiong Su, Zhang, L., Wang, Y., Liu, J. Xun, Muravev, V., Alexopoulos, K., Filot, I. A. W., Vlachos, D. G., and Hensen, E. J. M., “Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics”, npj Computational Materials, vol. 6, p. 144, 2020.
Y. Qiong Su, Zhang, L., Wang, Y., Liu, J. Xun, Muravev, V., Alexopoulos, K., Filot, I. A. W., Vlachos, D. G., and Hensen, E. J. M., “Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics”, npj Computational Materials, vol. 6, p. 144, 2020.
H. Bhattacharjee and Vlachos, D. G., “Thermochemical data fusion using graph representation learning”, Journal of Chemical Information and Modeling, vol. 60, pp. 4673–4683, 2020.
H. Bhattacharjee and Vlachos, D. G., “Thermochemical data fusion using graph representation learning”, Journal of Chemical Information and Modeling, vol. 60, pp. 4673–4683, 2020.
G. R. Wittreich, Gu, G. H., Robinson, D. J., Katsoulakis, M. A., and Vlachos, D. G., “Uncertainty Quantification and Error Propagation of Surface Catalyzed Kinetic Models”, 2020.
H. Bhattacharjee, Anesiadis, N., and Vlachos, D. G., “Using Graph Representation Learning to Correct DFT Calculated Enthalpy”, 2020.
2019
D. G. Vlachos, “Chemical Manufacturing of Renewable Bioproducts from Diverse Feedstocks”, in CatBior V, 2019.
D. G. Vlachos, “Computation-driven catalyst discovery”, in International Conference on Unconventional Catalysis, 2019.
P. Desir, Chen, T. - Y., Bracconi, M., Saha, B., Maestri, M., and Vlachos, D. G., “Experiments and computations of microfluidic liquid–liquid flow patterns”, Reaction Chemistry & Engineering, vol. 5, pp. 39–50, 2019.
D. G. Vlachos, “From First Principles to Chemical Manufacturing of Renewable Chemicals”, in National University of Singapore, 2019.
D. G. Vlachos, “Modular Manufacturing for Emerging Energy Industries: Green Ammonia, Shale Gas, and Biomass Upgrade”, in 12th Panhellenic Symposium of Chemical Engineering, 2019.
D. G. Vlachos, “Renewable Chemicals and Fuels: From First Principles to Chemical Manufacturing”, in Chemical Engineering Department Seminar, University of California at Santa Barbara, 2019.
P. Desir, Saha, B., and Vlachos, D. G., “Ultrafast flow chemistry for the acid-catalyzed conversion of fructose”, Energy & Environmental Science, vol. 12, pp. 2463–2475, 2019.

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