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Journal of Chemical Theory and Computation
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February 28, 2019
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field
Amber Mace, Senja Barthel, Berend Smit
Nature Communications
|
November 27, 2025
Thermal transport mechanisms in ZIFs
Xiaoqi Zhang, Senja Barthel, Yutao Li, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Hannes Gustafsson, Melania Kozdra, Berend Smit, et al.
Crystal Growth & Design
|
March 16, 2018
Distinguishing Metal-Organic Frameworks
Senja Barthel, Eugeny V Alexandrov, Davide M Proserpio, et al.
Journal of Chemical Theory and Computation
|
September 3, 2025
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
Hannes Gustafsson, Fabian Schwarz, Thijs Smolders, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 22, 2017
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
Daniele Ongari, Peter G Boyd, Senja Barthel, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2019
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
Benjamin Meyer, Senja Barthel, Amber Mace, et al.
ACS Central Science
|
March 14, 2018
Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites
Matthew Witman, Sanliang Ling, Peter Boyd, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 16, 2018
Generating carbon schwarzites via zeolite-templating
Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi, et al.
Patterns (New York, N.Y.)
|
October 24, 2022
SELFIES and the future of molecular string representations
Mario Krenn, Qianxiang Ai, Senja Barthel, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
February 28, 2019
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field
Amber Mace, Senja Barthel, Berend Smit
Nature Communications
|
November 27, 2025
Thermal transport mechanisms in ZIFs
Xiaoqi Zhang, Senja Barthel, Yutao Li, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Hannes Gustafsson, Melania Kozdra, Berend Smit, et al.
Crystal Growth & Design
|
March 16, 2018
Distinguishing Metal-Organic Frameworks
Senja Barthel, Eugeny V Alexandrov, Davide M Proserpio, et al.
Journal of Chemical Theory and Computation
|
September 3, 2025
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
Hannes Gustafsson, Fabian Schwarz, Thijs Smolders, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 22, 2017
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
Daniele Ongari, Peter G Boyd, Senja Barthel, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2019
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
Benjamin Meyer, Senja Barthel, Amber Mace, et al.
ACS Central Science
|
March 14, 2018
Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites
Matthew Witman, Sanliang Ling, Peter Boyd, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 16, 2018
Generating carbon schwarzites via zeolite-templating
Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi, et al.
Patterns (New York, N.Y.)
|
October 24, 2022
SELFIES and the future of molecular string representations
Mario Krenn, Qianxiang Ai, Senja Barthel, et al.
Page
of 1