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 | 87 | 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 | 37 | 2015 |
Perspective: machine learning of thermophysical properties F Jirasek, H Hasse Fluid Phase Equilibria 549, 113206, 2021 | 33 | 2021 |
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 | 27 | 2021 |
Hybridizing physical and data-driven prediction methods for physicochemical properties F Jirasek, R Bamler, S Mandt Chemical Communications 56 (82), 12407-12410, 2020 | 26 | 2020 |
Combining machine learning with physical knowledge in thermodynamic modeling of fluid mixtures F Jirasek, H Hasse Annual Review of Chemical and Biomolecular Engineering 14 (1), 31-51, 2023 | 25 | 2023 |
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 | 25 | 2018 |
Prediction of Henry's law constants by matrix completion N Hayer, F Jirasek, H Hasse AIChE Journal 68 (9), e17753, 2022 | 23 | 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 | 21 | 2021 |
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 | 20 | 2022 |
Digitalization in thermodynamics E Forte, F Jirasek, M Bortz, J Burger, J Vrabec, H Hasse Chemie Ingenieur Technik 91 (3), 201-214, 2019 | 20 | 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 | 15 | 2021 |
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 |
Prediction of parameters of group contribution models of mixtures by matrix completion F Jirasek, N Hayer, R Abbas, B Schmid, H Hasse Physical Chemistry Chemical Physics 25 (2), 1054-1062, 2023 | 14 | 2023 |
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 | 14 | 2022 |
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 | 10 | 2020 |
Deep anomaly detection on Tennessee Eastman process data F Hartung, BJ Franks, T Michels, D Wagner, P Liznerski, S Reithermann, ... Chemie Ingenieur Technik 95 (7), 1077-1082, 2023 | 9 | 2023 |
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 |
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 | 8 | 2019 |
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 |