Παρακολούθηση
Senja Barthel
Senja Barthel
Vrije Universiteit Amsterdam
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα vu.nl - Αρχική σελίδα
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Παρατίθεται από
Παρατίθεται από
Έτος
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
2782017
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
2412017
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
1502022
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
1412018
Distinguishing metal–organic frameworks
S Barthel, EV Alexandrov, DM Proserpio, B Smit
Crystal growth & design 18 (3), 1738-1747, 2018
912018
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
772018
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
402018
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
312020
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
282019
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
222019
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, SD Barthel
Journal of Chemical Theory and Computation 14 (8), 4427-4437, 2018
82018
Toroidal embeddings of abstractly planar graphs are knotted or linked
S Barthel, D Buck
Journal of Mathematical Chemistry 53, 1772-1790, 2015
62015
There exist no minimally knotted planar spatial graphs on the torus
S Barthel
Journal of Knot Theory and Its Ramifications 24 (07), 1550035, 2015
62015
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
32023
On chirality of toroidal embeddings of polyhedral graphs
S Barthel
Journal of Knot Theory and Its Ramifications 26 (08), 1750050, 2017
22017
Computationally efficient DFT-based sampling of ion diffusion in crystalline solids
H Gustafsson, F Schwarz, T Smolders, S Barthel, A Mace
12024
Constructing embedded surfaces for cellular embeddings of leveled spatial graphs
S Barthel, F Buccoliero
arXiv preprint arXiv:2406.03800, 2024
12024
A graph equation between the line graph and the edge-complement graph
S Barthel, F Buccoliero
TEMat monográficos 2, 231-234, 2021
12021
Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
F Schwarz, S Barthel, A Mace
Chemistry of Materials 36 (23), 11359-11376, 2024
2024
Properties of leveled spatial graphs
F Buccoliero, S Barthel
arXiv preprint arXiv:2409.14974, 2024
2024
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