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Journal Article (44)
2015
Journal Article
137, pp. 613 - 625 (2015)
Robust design of optimal solvents for chemical reactions − A combined experimental and computational strategy. Chemical Engineering Science
Journal Article
61 (1), pp. 147 - 158 (2015)
Integrated solvent and process design exemplified for a Diels–Alder reaction. AIChE Journal 2014
Journal Article
115, pp. 186 - 194 (2014)
Reprint of: Simulation based ionic liquid screening for benzene–cyclohexane extractive separation. Chemical Engineering Science
Journal Article
115, pp. 177 - 185 (2014)
Model-based method for the screening of solvents for chemical reactions. Chemical Engineering Science Conference Paper (7)
2022
Conference Paper
A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents. In: 32nd European Symposium on Computer Aided Process Engineering, pp. 1477 - 1482. 32nd European Symposium on Computer Aided Process Engineering : ESCAPE 32, Toulouse, France, June 12, 2022 - June 15, 2022. Elsevier (2022)
Conference Paper
Metal-Organic Framework Targeting for Optimal Pressure Swing Adsorption Processes. In: 14th International Symposium on Process Systems Engineering:, pp. 295 - 300 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021 +, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)
Conference Paper
A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage. In: 14th International Symposium on Process Systems Engineering:, pp. 1807 - 1812 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021+, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)
2021
Conference Paper
Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate. In: 31st European Symposium on Computer Aided Process Engineering, pp. 341 - 346 (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
Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage. In: 31st European Symposium on Computer Aided Process Engineering, pp. 191 - 196 (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)
2020
Conference Paper
In silico Screening of Metal-organic Frameworks for Acetylene/ethylene Separation. In: 30th European Symposium on Computer Aided Process Engineering, pp. 895 - 900. ESCAPE 30 , Virtual Symposium, August 31, 2020 - September 02, 2020. Elsevier B.V. (2020)
2018
Conference Paper
Integrated Process and Ionic Liquid Design by Combining Flowsheet Simulation with Quantum-Chemical Solvent Screening. In: 13th International Symposium on Process Systems Engineering (PSE 2018), pp. 2167 - 2172. 13th International Symposium on Process Systems Engineering (PSE 2018), San Diego, USA, July 01, 2018 - July 05, 2018. (2018)
Talk (11)
2022
Talk
A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents. ESCAPE-32, Toulouse, France (2022)
2021
Talk
Computer-Aided Molecular Design of Ionic Liquid Phase Change Material (IL-PCM) for Efficient Thermal Energy Storage. 31st European Symposium on Computer-Aided Process Engineering (ESCAPE-31) , Istanbul, Turkey (2021)
Talk
Computer-aided design of deep eutectic solvent systems for the associative extraction of a-tocopherol from deodorizer distillate. 31st European Symposium on Computer-Aided Process Engineering (ESCAPE-31), Istanbul, Turkey (2021)
Talk
Integrated Material and Process Design for Gas Separation: Hybrid Modeling for MOF Descriptor Targeting. ECCE 13 & ECAB 6:
13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, Berlin, Virtual (2021)
2020
Talk
In silico discovery of metal-organic frameworks for ethylene/acetylene separation. ESCAPE 30, 30th European Symposium on Computer Aided Process Engineering, virtual (2020)
2019
Talk
Computer-aided methods for screening and design of ionic liquids for separation processes. 8th International Congress on Ionic Liquids (COIL-8), Beijing, China (2019)
Talk
Computer-aided screening of deep eutectic solvents for separation processes. ILSEPT - 4th International Conference on Ionic Liquids in Separation and Purification Technology, Melia Sitges, Sitges, Spain (2019)
Talk
Optimal solvent design for extractive distillation processes: A multiobjective optimization-based hierarchical framework. 5th International Conference on Sustainable Chemical Product and Process Engineering (SCPPE), Nanjing, China (2019)
2018
Talk
Integrated Process and Ionic Liquid Design by Combining Flowsheet Simulation with Quantum-Chemical Solvent Screening. PSE 2018 - 13th International Symposium on Process Systems Engineering, San Diego, USA (2018)