| Quantifying similarity of pore-geometry in nanoporous materials Y Lee, SD Barthel, P Dłotko, SM Moosavi, K Hess, B Smit Nature communications 8 (1), 1-8, 2017 | 248 | 2017 |
| Accurate characterization of the pore volume in microporous crystalline materials D Ongari, PG Boyd, S Barthel, M Witman, M Haranczyk, B Smit Langmuir 33 (51), 14529-14538, 2017 | 204 | 2017 |
| Generating carbon schwarzites via zeolite-templating E Braun, Y Lee, SM Moosavi, S Barthel, R Mercado, IA Baburin, ... Proceedings of the National Academy of Sciences 115 (35), E8116-E8124, 2018 | 126 | 2018 |
| SELFIES and the future of molecular string representations M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ... Cell: Patterns 3 (10), 100588, 2022 | 84 | 2022 |
| Distinguishing metal–organic frameworks S Barthel, EV Alexandrov, DM Proserpio, B Smit Crystal growth & design 18 (3), 1738-1747, 2018 | 82 | 2018 |
| High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites Y Lee, SD Barthel, P Dłotko, SM Moosavi, K Hess, B Smit Journal of chemical theory and computation 14 (8), 4427-4437, 2018 | 70 | 2018 |
| Cutting materials in half: a graph theory approach for generating crystal surfaces and its prediction of 2D zeolites M Witman, S Ling, P Boyd, S Barthel, M Haranczyk, B Slater, B Smit ACS central science 4 (2), 235-245, 2018 | 36 | 2018 |
| Energy-based descriptors for photo-catalytically active metal–organic framework discovery M Fumanal, G Capano, S Barthel, B Smit, I Tavernelli Journal of Materials Chemistry A 8 (8), 4473-4482, 2020 | 28 | 2020 |
| Automated multiscale approach to predict self-diffusion from a potential energy field A Mace, S Barthel, B Smit Journal of chemical theory and computation 15 (4), 2127-2141, 2019 | 23 | 2019 |
| DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure B Meyer, S Barthel, A Mace, L Vannay, B Guillot, B Smit, C Corminboeuf The journal of physical chemistry letters 10 (7), 1482-1488, 2019 | 15 | 2019 |
| P. D lotko, SM Moosavi, K. Hess, and B. Smit. High-throughput screening approach for nanoporous materials genome using topological data analysis: Application to zeolites Y Lee, S Barthel Journal of Chemical Theory and Computation 14 (8), 4427-4437, 2018 | 7 | 2018 |
| Toroidal embeddings of abstractly planar graphs are knotted or linked S Barthel, D Buck Journal of Mathematical Chemistry 53 (8), 1772-1790, 2015 | 6 | 2015 |
| There exist no minimally knotted planar spatial graphs on the torus S Barthel Journal of Knot Theory and Its Ramifications 24 (07), 1550035, 2015 | 6 | 2015 |
| Pore-geometry recognition: on the importance of quantifying similarity in nanoporous materials Y Lee, SD Barthel, P Dłotko, SM Moosavi, K Hess, B Smit arXiv preprint arXiv:1701.06953, 2017 | 5 | 2017 |
| On chirality of toroidal embeddings of polyhedral graphs S Barthel Journal of Knot Theory and Its Ramifications 26 (08), 1750050, 2017 | 2 | 2017 |
| A graph equation between the line graph and the edge-complement graph S Barthel, F Buccoliero TEMat monográficos 2, 231-234, 2021 | 1 | 2021 |
| Predicting Ion Diffusion from the Shape of Potential Energy Landscapes H Gustafsson, M Kozdra, B Smit, S Barthel, A Mace J. Chem. Theory Comput., 2023 | | 2023 |
| Predicting ion diffusion from the shape of potential energy landscapes H Gustafsson, M Kozdra, B Smit, S Barthel, A Mace Preprint on Chemrxiv, 2023 | | 2023 |
| PNAS PLUS E Braun, Y Lee, SM Moosavi, S Barthel, R Mercado, IA Baburin, ... PNAS 115 (35), 8661-8664, 2018 | | 2018 |
| Towards an experimentally-accessible library of carbon schwarzites via zeolite-templating E Braun, Y Lee, M Moosavi, S Barthel, R Mercado, I Baburin, D Proserpio, ... Abstracts Of Papers Of The American Chemical Society 256 (CONF), 2018 | | 2018 |
Yongjin LeeInha UniversityVerified email at inha.ac.kr
