Senja Dominique Barthel

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Further affiliation
MARVEL Laboratory for Topology and Neuroscience UPHESS

EPFL Valais Wallis
Rue de l'Industrie 17
Case postale 440
CH-1951 Sion

Administrative data

Fields of expertise

Materials and shape.
(Applications of persistent homology, knot theory, topological graph theory to chemistry
and materials science; Topological crystal chemistry)


Other publications

Meyer, B., Barthel, S., Mace, A., Vannay, L., Guillot, B., Smit, B., Corminboeuf, C.
J. Phys. Chem. Lett. (2019)
DORI Reveals the Influence of Non-covalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
Mace, A., Barthel, S., Smit, B.
J. Chem. Theory Comput. (2019)
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field
Braun, E., Lee, Y., Moosavi, S. M., Barthel, S., Mercado, R., Baburin, I. A., Proserpio, D. M., Smit, B.
PNAS (2018)
Generating carbon schwarzites via zeolite-templating
Barthel, S.
Note on minimal number of skewed unit cells for periodic distance calculation
Lee, Y. Barthel, S. D., Dłotko, P., Moosavi, S. M., Hess, K., Smit, B.
J Chem Theory Comput (2018)
High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites
Witman, M., Ling, S., Boyd, P. G., Barthel, S., Haranczyk, M., Slater, B., Smit, B
ACS Central Science (2018)
Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites
Barthel, S., Alexandrov, E. V., Proserpio, D. M., Smit, B.
Crystal Growths & Design (2018)
Dinstinguishing metal-organic frameworks
Ongari, D., Boyd, P. G., Barthel, S., Witman, M., Haranczyk, M., Smit, B.
Langmuir (2017)
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
Barthel, S.
J. Knot Theory Ramifications (2017)
On chirality of toroidal embeddings of polyhedral graphs
Lee, Y., Barthel, S. D., Dłotko, P., Moosavi, S. M., Hess K., Smit, B.
Nature Communications, 8 (2017)
Quantifying similarity of pore-geometry in nanoporous materials
Barthel, S.
J. Knot Theory Ramifications, 24, 1550035 (2015)
There exist no Minimally Knotted Planar Spatial Graphs on the Torus
Barthel, S., Buck D.
J Math Chem 53: 1772 (2015)
Toroidal embeddings of abstractly planar graphs are knotted or linked