Person
Thomas Nevolianis
M.Sc.Chair and Institute of Technical Thermodynamics
Molecular Systems Engineering
Address
Building: 1300
Room: 217
Schinkelstraße 8
52062 Aachen
Publications
| Source | Author(s) |
|---|---|
| [Journal Article] Blind prediction of toluene/water partition coefficients using COSMO-RS: results from the SAMPL9 challenge Physical chemistry, chemical physics, 25 (46), 31683-31691, 2023 [DOI: 10.1039/D3CP04077A] | Nevolianis, Thomas Ahmed, Raja A. Hellweg, Arnim Diedenhofen, Michael Leonhard, Kai |
| [Contribution to a book, Contribution to a conference proceedings] Identification of a dynamic model of the N-vinylcaprolactam-coglycidyl methacrylate microgel synthesis 33rd European Symposium on Computer Aided Process Engineering : Escape-33 / Edited by Antonios C. Kokossis, Michael C. Georgiadis, Efstratios Pistikopoulos, 2023 [DOI: 10.1016/B978-0-443-15274-0.50129-3] | Kaven, Luise Friederike Nevolianis, Thomas Wolter, Nadja Anna Mhamdi, Adel Pich, Andrij et al. |
| [Journal Article] The first HyDRA challenge for computational vibrational spectroscopy Physical chemistry, chemical physics, 25 (33), 22089-22102, 2023 [DOI: 10.1039/D3CP01216F] | Fischer, Taija L. Bödecker, Margarethe Schweer, Sophie M. Dupont, Jennifer Lepère, Valéria et al. |
| [Preprint] The first HyDRA challenge for computational vibrational spectroscopy, 2023 [DOI: 10.26434/chemrxiv-2023-wd261-v2] | Fischer, Taija L. Bödecker, Margarethe Schweer, Sophie M. Dupont, Jennifer Lepère, Valéria et al. |
| [Dataset] Data belonging to the publication "DISSOLVE: Database of ionic solutes’ solvation free energies", 2023 [DOI: 10.22000/883] | Nevolianis, Thomas Baumann, Matthias Viswanathan, Narasimhan Kopp, Wassja Alexander Leonhard, Kai |
| [Dataset] Data belonging to the publication "Understanding the Monomer Deuteration Effect on the Transition Temperature of poly(N-isopropylacrylamide) Microgels in H2O", 2023 [DOI: 10.22000/857] | Nevolianis, Thomas Scotti, Andrea Petrunin, Alexander V. Richtering, Walter Leonhard, Kai |
| [Conference Presentation] A hybrid in-silico and experimental kinetics study of glycidyl methacrylate-functionalized N-vinylcaprolactam microgel synthesis APS March Meeting 2023, 2023 | Nevolianis, Thomas Wolter, Nadja Kaven, Luise Friederike Krep, Lukas Huang, Can et al. |
| [Journal Article] DISSOLVE: Database of ionic solutes’ solvation free energies Fluid phase equilibria, 571, 113801, 2023 [DOI: 10.1016/j.fluid.2023.113801] | Nevolianis, Thomas Baumann, Matthias Viswanathan, Narasimhan Kopp, Wassja Alexander Leonhard, Kai (Corresponding author) |
| [Journal Article] Understanding the monomer deuteration effect on the transition temperature of poly(N-isopropylacrylamide) microgels in H2O Polymer Chemistry, 14 (13), 1447-1455, 2023 [DOI: 10.1039/D2PY01511K] | Nevolianis, Thomas Scotti, Andrea (Corresponding author) Petrunin, Alexander V. Richtering, Walter Leonhard, Kai (Corresponding author) |
| [Contribution to a book, Journal Article] A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes ChemPhysChem, 24 (7), e202200783, 2022 [DOI: 10.1002/cphc.202200783] | Krep, Lukas Schmalz, Felix Solbach, Florian Komissarov, Leonid Nevolianis, Thomas et al. |
| [Journal Article] Kinetic modeling of a poly(n-vinylcaprolactam-co-glycidyl methacrylate) microgel synthesis: a hybrid in silico and experimental approach Industrial & engineering chemistry research : I & EC research, 62 (2), 893-902, 2023 [DOI: 10.1021/acs.iecr.2c03291] | Nevolianis, Thomas Wolter, Nadja Anna Kaven, Luise Friederike Krep, Lukas Huang, Can et al. |
| [Poster] A Computational and Experimental Study of Deuteration Effect on Transition Temperature of PNIPAM Microgels 3. International Summer School on Functional Microgels and Microgel Systems, 2022 | Nevolianis, Thomas Scotti, Andrea Petrunin, Alexander Richtering, Walter Leonhard, Kai |
| [Dataset] Supplementary Information for Prof Leonhard’s group submission for HyDRA challenge, 2022 [DOI: 10.18154/RWTH-2022-02243] | Viswanathan, Narasimhan Nevolianis, Thomas Rath, Gabriel Kopp, Wassja Alexander Leonhard, Kai |
| [Journal Article] Dynamic flow enables long-term maintenance of 3-D vascularized human skin models Applied materials today, 25, 2021 [DOI: 10.1016/j.apmt.2021.101213] | Rimal, Rahul Marquardt, Yvonne Nevolianis, Thomas Djeljadini, Suzana Marquez, Andrea Bonnin et al. |