Machine learning in thermodynamics: Prediction of activity coefficients by matrix completion F Jirasek, RAS Alves, J Damay, RA Vandermeulen, R Bamler, M Bortz, ... The journal of physical chemistry letters 11 (3), 981-985, 2020 | 73 | 2020 |
Crystal phase transformation of α into β phase poly (vinylidene fluoride) via particle formation caused by rapid expansion of supercritical solutions S Wolff, F Jirasek, S Beuermann, M Türk RSC advances 5 (82), 66644-66649, 2015 | 32 | 2015 |
Perspective: machine learning of thermophysical properties F Jirasek, H Hasse Fluid Phase Equilibria 549, 113206, 2021 | 24 | 2021 |
Method for estimating activity coefficients of target components in poorly specified mixtures F Jirasek, J Burger, H Hasse Industrial & Engineering Chemistry Research 57 (21), 7310-7313, 2018 | 24 | 2018 |
Predicting activity coefficients at infinite dilution for varying temperatures by matrix completion J Damay, F Jirasek, M Kloft, M Bortz, H Hasse Industrial & Engineering Chemistry Research 60 (40), 14564-14578, 2021 | 22 | 2021 |
Hybridizing physical and data-driven prediction methods for physicochemical properties F Jirasek, R Bamler, S Mandt Chemical Communications 56 (82), 12407-12410, 2020 | 20 | 2020 |
Digitalization in thermodynamics E Forte, F Jirasek, M Bortz, J Burger, J Vrabec, H Hasse Chemie Ingenieur Technik 91 (3), 201-214, 2019 | 19 | 2019 |
Prediction of Henry's law constants by matrix completion N Hayer, F Jirasek, H Hasse AIChE Journal 68 (9), e17753, 2022 | 16 | 2022 |
NEAT—NMR Spectroscopy for the Estimation of Activity Coefficients of Target Components in Poorly Specified Mixtures F Jirasek, J Burger, H Hasse Industrial & Engineering Chemistry Research 58 (21), 9155-9165, 2019 | 15 | 2019 |
Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification T Specht, K Münnemann, H Hasse, F Jirasek Journal of Chemical Information and Modeling 61 (1), 143-155, 2021 | 13 | 2021 |
Database for liquid phase diffusion coefficients at infinite dilution at 298 K and matrix completion methods for their prediction O Großmann, D Bellaire, N Hayer, F Jirasek, H Hasse Digital Discovery 1 (6), 886-897, 2022 | 9 | 2022 |
Making thermodynamic models of mixtures predictive by machine learning: matrix completion of pair interactions F Jirasek, R Bamler, S Fellenz, M Bortz, M Kloft, S Mandt, H Hasse Chemical Science 13 (17), 4854-4862, 2022 | 9 | 2022 |
Attribute-based explanation of non-linear embeddings of high-dimensional data JT Sohns, M Schmitt, F Jirasek, H Hasse, H Leitte IEEE Transactions on Visualization and Computer Graphics 28 (1), 540-550, 2021 | 9 | 2021 |
Prediction of the elution profiles of proteins in mixed salt systems in hydrophobic interaction chromatography N Galeotti, E Hackemann, F Jirasek, H Hasse Separation and Purification Technology 233, 116006, 2020 | 9 | 2020 |
Application of NEAT for the simulation of liquid–liquid extraction processes with poorly specified feeds F Jirasek, J Burger, H Hasse AIChE Journal 66 (2), e16826, 2020 | 9 | 2020 |
Recovery of furfural and acetic acid from wood hydrolysates in biotechnological downstream processing N Galeotti, F Jirasek, J Burger, H Hasse Chemical Engineering & Technology 41 (12), 2331-2336, 2018 | 8 | 2018 |
Combining Machine Learning with Physical Knowledge in Thermodynamic Modeling of Fluid Mixtures F Jirasek, H Hasse Annual Review of Chemical and Biomolecular Engineering 14, 31-51, 2023 | 7 | 2023 |
Estimating activity coefficients of target components in poorly specified mixtures with NMR spectroscopy and COSMO-RS T Specht, K Münnemann, F Jirasek, H Hasse Fluid Phase Equilibria 516, 112604, 2020 | 7 | 2020 |
Application of NEAT for determining the composition dependence of activity coefficients in poorly specified mixtures F Jirasek, J Burger, H Hasse Chemical Engineering Science 208, 115161, 2019 | 7 | 2019 |
Influence of pH value and salts on the adsorption of lysozyme in mixed‐mode chromatography J Kreusser, F Jirasek, H Hasse Engineering in Life Sciences 21 (11), 753-768, 2021 | 6 | 2021 |