Publications of Edgar Ivan Sanchez Medina
All genres
Journal Article (5)
2024
Journal Article
495, 153524 (2024)
Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading. Chemical Engineering Journal 2023
Journal Article
127, pp. 9863 - 9873 (2023)
Gibbs–Helmholtz Graph Neural Network for the Prediction of Activity Coefficients of Polymer Solutions at Infinite Dilution. The Journal of Physical Chemistry A
Journal Article
2 (3), pp. 781 - 798 (2023)
Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilution. Digital Discovery 2022
Journal Article
1 (3), pp. 216 - 225 (2022)
Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 2020
Journal Article
92 (7), pp. 842-855 - 855 (2020)
Hybrid Semi‐parametric Modeling in Separation Processes: A Review. Chemie Ingenieur Technik Conference Paper (4)
2024
Conference Paper
A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 2701 - 2706 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)
2023
Conference Paper
52, pp. 2037 - 2042 (Eds. Kokossis, A.; Georgiadis, M.C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)
Solvent pre-selection for extractive distillation using Gibbs-Helmholtz Graph Neural Networks. In: 33rd European Symposium on Computer Aided Process Engineering, Vol. 2021
Conference Paper
Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks. In: 31st European Symposium on Computer Aided Process Engineering, pp. 991 - 997 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)
Conference Paper
Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression. In: 31st European Symposium on Computer Aided Process Engineering, pp. 1117 - 1123 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)
Talk (8)
2024
Talk
A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. ESCAPE-34, Florence, Italy (2024)
Talk
PSEvolve: A graph-based solvent design framework. ESCAPE34 , Florence, Italy (2024)
Talk
A Comparison of the UNIFAC Model vs. Graph Neural Network-based Models for the Prediction of Binary Vapor-Liquid Equilibria. 33rd European Symposium on Applied Thermodynamics 2024, Edinburgh, UK (2024)
2023
Talk
Tailored solvent design for lignin dissolution using graph neural networks. ECCE 14 & ECAB 7: 14th European Congress of Chemical Engineering and 7th European Congress of Applied Biotechnology, Berlin, Germany (2023)
Talk
An introductory course of machine learning for chemical engineering students: a prototype. WCCE11 - 11th WORLD CONGRESS OF CHEMICAL ENGINEERING, Buenos Aires, Argentina (2023)
Talk
Predicting activity coefficients at infinite dilution of polymer solutions using Graph Neural Networks. WCCE11 - 11th WORLD CONGRESS OF CHEMICAL ENGINEERING, Buenos Aires, Argentina (2023)
Talk
Solvent pre-selection for extractive distillation using Gibbs-Helmholtz Graph Neural Networks. ESCAPE-33, Athens, Greece (2023)
2021
Talk
Multi-Objective Bayesian optimization of process flowsheets using trust regions and quality set metrics. 2021 AIChE Annual Meeting, Virtual (2021)
Poster (7)
2024
Poster
BOHO CAT - Bayesian Optimization for Low Throughput Ligand Selection in Homogeneous Catalysis. Cambridge ELLIS Unit Summer School 2024, Cambridge, UK (2024)
Poster
Rapid phosphine ligand discovery in homogeneous catalysis: Bayesian optimization approach for low-throughput experimentation. CHISA 2024, Prague, Czech Republic (2024)
Poster
Machine learning-based solvent screening for lignocellulose biorefineries and lignin upgrading. BioSPRINT Spring School: Opportunities and challenges of process intensification application in lignocellulosic biorefineries, Frankfurt am Main, Germany (2024)