dr. Senja Barthel

dr.

20152019
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Fingerprint Dive into the research topics where Senja Barthel is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Planar graph Mathematics
Zeolites Chemical Compounds
Torus Mathematics
Spatial Graph Mathematics
Knot Mathematics
Microporous materials Chemical Compounds
Crystals Chemical Compounds
Molecular crystals Chemical Compounds

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Research Output 2015 2019

  • 11 Article
  • 1 Comment / Letter to the editor

Automated Multiscale Approach to Predict Self-Diffusion from a Potential Energy Field

Mace, A., Barthel, S. & Smit, B., 9 Apr 2019, In : Journal of Chemical Theory and Computation. 15, 4, p. 2127-2141 15 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Potential energy
potential energy
grids
screening
Molecular dynamics

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure

Meyer, B., Barthel, S., Mace, A., Vannay, L., Guillot, B., Smit, B. & Corminboeuf, C., 4 Apr 2019, In : Journal of Physical Chemistry Letters. 10, 7, p. 1482-1488 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Molecular crystals
Carrier concentration
Compaction
crystals
Crystals

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Witman, M., Ling, S., Boyd, P., Barthel, S., Haranczyk, M., Slater, B. & Smit, B., 28 Feb 2018, In : ACS Central Science. 4, 2, p. 235-245 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Zeolites
Graph theory
Crystals
Metals
Graphite

Distinguishing Metal-Organic Frameworks

Barthel, S., Alexandrov, E. V., Proserpio, D. M. & Smit, B., 7 Mar 2018, In : Crystal Growth and Design. 18, 3, p. 1738-1747 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Metals
Discrete Fourier transforms
metals
Atoms
atoms

Generating carbon schwarzites via zeolite-templating

Braun, E., Lee, Y., Moosavi, S. M., Barthel, S., Mercado, R., Baburin, I. A., Proserpio, D. M. & Smit, B., 1 Jan 2018, In : Proceedings of the National Academy of Sciences of the United States of America. 115, 35, p. E8116-E8124

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Zeolites
Carbon
Inner Ear
Libraries