| Multiple-component covalent organic frameworks N Huang, L Zhai, DE Coupry, MA Addicoat, K Okushita, K Nishimura, ... Nature communications 7 (1), 12325, 2016 | 257 | 2016 |
| Photoinduced charge‐carrier generation in epitaxial MOF thin films: High efficiency as a result of an indirect electronic band gap? J Liu, W Zhou, J Liu, I Howard, G Kilibarda, S Schlabach, D Coupry, ... Angewandte Chemie International Edition 54 (25), 7441-7445, 2015 | 255 | 2015 |
| Extension of the universal force field for metal–organic frameworks DE Coupry, MA Addicoat, T Heine Journal of Chemical Theory and Computation 12 (10), 5215-5225, 2016 | 152 | 2016 |
| AuToGraFS: automatic topological generator for framework structures MA Addicoat, DE Coupry, T Heine The Journal of Physical Chemistry A 118 (40), 9607-9614, 2014 | 74 | 2014 |
| Controlling embedment and surface chemistry of nanoclusters in metal–organic frameworks DE Coupry, J Butson, PS Petkov, M Saunders, K O'Donnell, H Kim, ... Chemical communications 52 (29), 5175-5178, 2016 | 27 | 2016 |
| Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes DE Coupry, MA Addicoat, T Heine The Journal of Chemical Physics 147 (16), 2017 | 13 | 2017 |
| Application of deep metric learning to molecular graph similarity DE Coupry, P Pogány Journal of Cheminformatics 14 (1), 11, 2022 | 5 | 2022 |
| Application of deep metric learning to molecular similarity D Coupry, P Pogany | | 2021 |
| In Silico Design and Analysis of Metal-organic Frameworks D Coupry Universität Leipzig, 2018 | | 2018 |
| Machine learning for large-scale MOF screening D Coupry, L Groot, M Addicoat, T Heine ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
Thomas HeineProfessor of Theoretical ChemistryVerified email at tu-dresden.de
