| Dynamic flow enables long‐term maintenance of 3‐D vascularized human skin models R Rimal, Y Marquardt, T Nevolianis, S Djeljadini, AB Marquez, S Huth, ... Applied Materials Today 25, 101213, 2021 | 22 | 2021 |
| Dicyanobenzothiadiazole derivatives possessing switchable dielectric permittivities J Wudarczyk, G Papamokos, T Marszalek, T Nevolianis, D Schollmeyer, ... ACS applied materials & interfaces 9 (24), 20527-20535, 2017 | 19 | 2017 |
| The first HyDRA challenge for computational vibrational spectroscopy TL Fischer, M Bödecker, SM Schweer, J Dupont, V Lepère, ... Physical Chemistry Chemical Physics 25 (33), 22089-22102, 2023 | 11 | 2023 |
| Kinetic Modeling of a Poly(N-vinylcaprolactam-co-glycidyl methacrylate) Microgel Synthesis: A Hybrid In Silico and Experimental Approach T Nevolianis, N Wolter, LF Kaven, L Krep, C Huang, A Mhamdi, A Mitsos, ... Industrial & Engineering Chemistry Research 62 (2), 893-902, 2023 | 8 | 2023 |
| DISSOLVE: Database of ionic solutes’ solvation free energies T Nevolianis, M Baumann, N Viswanathan, WA Kopp, K Leonhard Fluid Phase Equilibria 571, 113801, 2023 | 5 | 2023 |
| A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes L Krep, F Schmalz, F Solbach, L Komissarov, T Nevolianis, WA Kopp, ... ChemPhysChem 24 (7), e202200783, 2023 | 3 | 2023 |
| Blind prediction of toluene/water partition coefficients using COSMO-RS: results from the SAMPL9 challenge T Nevolianis, RA Ahmed, A Hellweg, M Diedenhofen, K Leonhard Physical Chemistry Chemical Physics 25 (46), 31683-31691, 2023 | 2 | 2023 |
| Understanding the monomer deuteration effect on the transition temperature of poly (N-isopropylacrylamide) microgels in H 2 O T Nevolianis, A Scotti, AV Petrunin, W Richtering, K Leonhard Polymer Chemistry 14 (13), 1447-1455, 2023 | 2 | 2023 |
| Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS S Müller, T Nevolianis, M Garcia-Ratés, C Riplinger, K Leonhard, ... arXiv preprint arXiv:2407.03434, 2024 | 1 | 2024 |
| Identification of a dynamic model of the N-vinylcaprolactam-co-glycidyl methacrylate microgel synthesis LF Kaven, T Nevolianis, N Wolter, A Mhamdi, A Pich, A Mitsos, ... Computer Aided Chemical Engineering 52, 807-812, 2023 | 1 | 2023 |
| Prediction of Relative SN2 Rate Coefficients in Different Solvents J Zheng, S Biswas, K Moreno-Sader, T Nevolianis, W Green 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Prediction of pKa in Different Solvents Via Deep Learning J Zheng, I Kaljurand, S Tshepelevitsh, I Leito, T Nevolianis, S Müller, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Multi-fidelity graph neural networks for predicting toluene/water partition coefficients T Nevolianis, JG Rittig, A Mitsos, K Leonhard | | 2024 |
| Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains LF Kaven, J Keil, N Wolter, T Nevolianis, A Pich, K Leonhard, A Mhamdi, ... Industrial & Engineering Chemistry Research 63 (17), 7727-7742, 2024 | | 2024 |
| Dataset to:" Kinetic modeling of a poly (n-vinylcaprolactam-co-glycidyl methacrylate) microgel synthesis: a hybrid in silico and experimental approach" T Nevolianis, A Mhamdi, L Krep, K Leonhard, LF Kaven, C Huang, ... DWI-Leibniz-Institut für Interaktive Materialien eV, 2024 | | 2024 |
| Front Cover: A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition … L Krep, F Schmalz, F Solbach, L Komissarov, T Nevolianis, WA Kopp, ... ChemPhysChem 24 (7), e202300136, 2023 | | 2023 |
| The home for the most innovative and exciting polymer chemistry, with an emphasis on polymer synthesis and applications thereof XN Qi, Q Lin, TB Wei, W Tian, ZL Li, T Nevolianis, A Scotti, AV Petrunin, ... Image 14, 1447, 2023 | | 2023 |
| A hybrid in-silico and experimental kinetics study of glycidyl methacrylate-functionalized N-vinylcaprolactam microgel synthesis T Nevolianis, N Wolter, L Kaven, L Krep, C Huang, A Mhamdi, A Mitsos, ... APS March Meeting Abstracts 2023, Q03. 004, 2023 | | 2023 |
| Dicyanobenzothiadiazole Derivatives Possessing Switchable Dielectric Permittivities W Jakob, P George, M Tomasz, N Thomas, S Dieter, P Wojciech, ... | | 2017 |
