Senja Barthel
@senjabarthel.bsky.social
Shapeologist: Topologist, Mathematical chemist. Recorder player. (she/her)
https://research.vu.nl/en/persons/senja-barthel
https://research.vu.nl/en/persons/senja-barthel
Reposted by Senja Barthel
Hannes' manuscript about our methodology to study ion diffusion in crystalline solids has just been published. The interaction of the ions with the framework can in principle be calculated at any level of theory. #compchem #compchemsky doi.org/10.1021/acs....
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
We present a method for large-scale DFT-based screening of ion diffusion in crystalline solids. This is accomplished by extending the Ionic TuTraSt method to sample the potential energy surface by usi...
doi.org
September 3, 2025 at 8:29 PM
Hannes' manuscript about our methodology to study ion diffusion in crystalline solids has just been published. The interaction of the ions with the framework can in principle be calculated at any level of theory. #compchem #compchemsky doi.org/10.1021/acs....
PhD position in Amsterdam: Application in active matter, the underlying math is graph theory/combinatorics and involves developing new theory for hypergraphs and hypermaps in the context of the Tutte polynomial and Potts model.
Deadline 10.08 (likely extended)
werkenbij.uva.nl/en/vacancies...
Deadline 10.08 (likely extended)
werkenbij.uva.nl/en/vacancies...
Vacancy — PhD Position for Advanced Nearest Neighbour Models for Active Matter
Would you find it exciting to work on both theoretical and applied mathematics and experience how they can simultaneously advance each other? Would you enjoy working in an interdisciplinary research g...
werkenbij.uva.nl
July 25, 2025 at 9:38 AM
PhD position in Amsterdam: Application in active matter, the underlying math is graph theory/combinatorics and involves developing new theory for hypergraphs and hypermaps in the context of the Tutte polynomial and Potts model.
Deadline 10.08 (likely extended)
werkenbij.uva.nl/en/vacancies...
Deadline 10.08 (likely extended)
werkenbij.uva.nl/en/vacancies...
New on arxiv: Yuka Kotorii and I studied the linking number as a random variable on the isotopy classes of 2-component links in the grid model.
June 5, 2025 at 1:45 PM
New on arxiv: Yuka Kotorii and I studied the linking number as a random variable on the isotopy classes of 2-component links in the grid model.
We have a couple of open PhD\postdoc\temporary lecturer positions at the math department of the VU Amsterdam, including a PhD position in in Applied Topology!
vu.nl/en/about-vu/...
vu.nl/en/about-vu/...
Joining us - Vrije Universiteit Amsterdam
The Department of Mathematics at VU Amsterdam regularly has vacancies.
vu.nl
May 22, 2025 at 2:46 PM
We have a couple of open PhD\postdoc\temporary lecturer positions at the math department of the VU Amsterdam, including a PhD position in in Applied Topology!
vu.nl/en/about-vu/...
vu.nl/en/about-vu/...
PhD Opportunity: Theoretical Ion Transport in Solid-State Batteries!
Join my collaborator Amber Mace at the Ångström Advanced Battery Centre to computationally study ion conductivity in complex materials using data-mining and machine learning.
Apply here: www.uu.se/en/about-uu/...
Join my collaborator Amber Mace at the Ångström Advanced Battery Centre to computationally study ion conductivity in complex materials using data-mining and machine learning.
Apply here: www.uu.se/en/about-uu/...
PhD student in Computational Materials Chemistry - Uppsala University
PhD student in Computational Materials Chemistry, Department of Chemistry - Ångström Laboratory, Uppsala University
www.uu.se
May 13, 2025 at 2:18 PM
PhD Opportunity: Theoretical Ion Transport in Solid-State Batteries!
Join my collaborator Amber Mace at the Ångström Advanced Battery Centre to computationally study ion conductivity in complex materials using data-mining and machine learning.
Apply here: www.uu.se/en/about-uu/...
Join my collaborator Amber Mace at the Ångström Advanced Battery Centre to computationally study ion conductivity in complex materials using data-mining and machine learning.
Apply here: www.uu.se/en/about-uu/...
Our contribution to AI for Accelerated Materials Design is out:
We show that features derived from labeled quotient graphs of bond networks can effectively predict non-local material properties.
openreview.net/forum?id=wLS...
We show that features derived from labeled quotient graphs of bond networks can effectively predict non-local material properties.
openreview.net/forum?id=wLS...
openreview.net
April 12, 2025 at 12:54 PM
Our contribution to AI for Accelerated Materials Design is out:
We show that features derived from labeled quotient graphs of bond networks can effectively predict non-local material properties.
openreview.net/forum?id=wLS...
We show that features derived from labeled quotient graphs of bond networks can effectively predict non-local material properties.
openreview.net/forum?id=wLS...
The Applied Topology Day 2025 was a success. Next year, we are planning to extend it to a two days event! Stay tuned.
April 12, 2025 at 12:43 PM
The Applied Topology Day 2025 was a success. Next year, we are planning to extend it to a two days event! Stay tuned.
Come to the thesis defense of my PhD student Fabio Buccoliero tomorrow!
Here is a teaser of the content of his thesis and the invitation:
vu.nl/en/news/2025...
Here is a teaser of the content of his thesis and the invitation:
vu.nl/en/news/2025...
Graphs in space! Mathematics which can be seen by naked eye. - Vrije Universiteit Amsterdam
Mathematician Fabio Buccoliero introduces a new class of spatial graphs which can be cellular embedded in surfaces living in 3-dimensional space.
vu.nl
April 2, 2025 at 10:36 AM
Come to the thesis defense of my PhD student Fabio Buccoliero tomorrow!
Here is a teaser of the content of his thesis and the invitation:
vu.nl/en/news/2025...
Here is a teaser of the content of his thesis and the invitation:
vu.nl/en/news/2025...
We have quite a few postdoc and PhD positions advertised in our department. Have a look!
vu.nl/en/about-vu/...
vu.nl/en/about-vu/...
Joining us - Vrije Universiteit Amsterdam
The Department of Mathematics at VU Amsterdam regularly has vacancies.
vu.nl
March 10, 2025 at 8:28 PM
We have quite a few postdoc and PhD positions advertised in our department. Have a look!
vu.nl/en/about-vu/...
vu.nl/en/about-vu/...
Tapulu
“A memory; a re-de-con struction.
Somewhere between the layers lies the truth.
If I lived there, did it even exist?”
[Part of TheDalis museum's thedali.org online photo exhibition.]
“A memory; a re-de-con struction.
Somewhere between the layers lies the truth.
If I lived there, did it even exist?”
[Part of TheDalis museum's thedali.org online photo exhibition.]
March 1, 2025 at 4:33 PM
Tapulu
“A memory; a re-de-con struction.
Somewhere between the layers lies the truth.
If I lived there, did it even exist?”
[Part of TheDalis museum's thedali.org online photo exhibition.]
“A memory; a re-de-con struction.
Somewhere between the layers lies the truth.
If I lived there, did it even exist?”
[Part of TheDalis museum's thedali.org online photo exhibition.]
The Dutch Applied Topology Day 2025 will take place at Vrije Universiteit Amsterdam on 8th April 2025. Registration is free. vu.nl/en/about-vu/...
February 12, 2025 at 11:46 AM
The Dutch Applied Topology Day 2025 will take place at Vrije Universiteit Amsterdam on 8th April 2025. Registration is free. vu.nl/en/about-vu/...
Last chance on to visit the current arts exhibition at Treehouse NDSM (Amsterdam North) on touch, featuring the works of 14 artists, including my own!
Sunday 8.12. is the last opening day. Between 13-18h I will be there and offer private tours. Hope to see you there!
Sunday 8.12. is the last opening day. Between 13-18h I will be there and offer private tours. Hope to see you there!
December 5, 2024 at 8:38 PM
Last chance on to visit the current arts exhibition at Treehouse NDSM (Amsterdam North) on touch, featuring the works of 14 artists, including my own!
Sunday 8.12. is the last opening day. Between 13-18h I will be there and offer private tours. Hope to see you there!
Sunday 8.12. is the last opening day. Between 13-18h I will be there and offer private tours. Hope to see you there!
Reposted by Senja Barthel
Our perspective on how the potential energy surface can aid in the understanding of diffusion in solid-state materials has just been published in Chemistry of Materials. #chemsky #compchemsky doi.org/10.1021/acs....
Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
The structure and dynamics of a material are essentially determined by the complex combination of potential energy landscapes experienced by the individual atoms in the system. In turn, valuable infor...
doi.org
November 22, 2024 at 2:35 PM
Our perspective on how the potential energy surface can aid in the understanding of diffusion in solid-state materials has just been published in Chemistry of Materials. #chemsky #compchemsky doi.org/10.1021/acs....