Articles with public access mandates - Senja BarthelLearn more
Available somewhere: 12
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
Mandates: US Department of Energy, Swiss National Science Foundation, US National …
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
Mandates: US Department of Energy, Swiss National Science Foundation, US National …
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
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
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
Mandates: US National Science Foundation, Fundação de Amparo à Pesquisa do Estado de …
Distinguishing metal–organic frameworks
S Barthel, EV Alexandrov, DM Proserpio, B Smit
Crystal growth & design 18 (3), 1738-1747, 2018
Mandates: Swiss National Science Foundation, US National Institutes of Health …
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
Mandates: US Department of Energy, Swiss National Science Foundation, US National …
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
Mandates: US Department of Energy, Swiss National Science Foundation, US National …
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
Mandates: Swiss National Science Foundation
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
Mandates: US Department of Energy, Swiss National Science Foundation, Swedish Research …
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
Mandates: US Department of Energy, Swiss National Science Foundation, Swedish Research …
Predicting ion diffusion from the shape of potential energy landscapes
H Gustafsson, M Kozdra, B Smit, S Barthel, A Mace
Preprint on Chemrxiv, 2023
Mandates: Swiss National Science Foundation, Swedish Research Council
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, 2018
Mandates: Swiss National Science Foundation, US National Institutes of Health …
Publication and funding information is determined automatically by a computer program