westermayrgroup
@westermayrgroup.bsky.social
Research group of Junior Professor Julia Westermayr
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Honored to host Prof. Xiaodong Zou at the WOI colloquium in Leipzig yesterday! 🔬 She traced electron crystallography’s evolution - from cRED to SerialED - with examples on zeolites, MOFs, COFs, and proteins. 🙌✨ #ElectronCrystallography #cRED #SerialED #Leipzig
November 4, 2025 at 3:45 PM
Honored to host Prof. Xiaodong Zou at the WOI colloquium in Leipzig yesterday! 🔬 She traced electron crystallography’s evolution - from cRED to SerialED - with examples on zeolites, MOFs, COFs, and proteins. 🙌✨ #ElectronCrystallography #cRED #SerialED #Leipzig
Contributions of the Westermayr group at #STC2025 (Berlin):
🎤 Wed 12:10 – Sophia Wesely: "Exploring Excited-State Energy Landscapes with ML"
🖼 Posters: Mon #104 (Alexander Feige), Wed #78 (Robin Curth), Thu #82 (Daniel Bitterlich)
Join us for talks & posters!
#CompChem #ML #TheoreticalChemistry
🎤 Wed 12:10 – Sophia Wesely: "Exploring Excited-State Energy Landscapes with ML"
🖼 Posters: Mon #104 (Alexander Feige), Wed #78 (Robin Curth), Thu #82 (Daniel Bitterlich)
Join us for talks & posters!
#CompChem #ML #TheoreticalChemistry
September 22, 2025 at 2:48 PM
Contributions of the Westermayr group at #STC2025 (Berlin):
🎤 Wed 12:10 – Sophia Wesely: "Exploring Excited-State Energy Landscapes with ML"
🖼 Posters: Mon #104 (Alexander Feige), Wed #78 (Robin Curth), Thu #82 (Daniel Bitterlich)
Join us for talks & posters!
#CompChem #ML #TheoreticalChemistry
🎤 Wed 12:10 – Sophia Wesely: "Exploring Excited-State Energy Landscapes with ML"
🖼 Posters: Mon #104 (Alexander Feige), Wed #78 (Robin Curth), Thu #82 (Daniel Bitterlich)
Join us for talks & posters!
#CompChem #ML #TheoreticalChemistry
Curious about AI & data science in the natural sciences - especially chemistry?
We’re offering a student assistant role starting October 2025 (up to 19 h/week). Students with a Bachelor’s or Master’s degree are welcome to apply.
Application deadline: 07 Sep 25
#AI #DataScience #Chemistry #Hiring
We’re offering a student assistant role starting October 2025 (up to 19 h/week). Students with a Bachelor’s or Master’s degree are welcome to apply.
Application deadline: 07 Sep 25
#AI #DataScience #Chemistry #Hiring
August 27, 2025 at 12:49 PM
Curious about AI & data science in the natural sciences - especially chemistry?
We’re offering a student assistant role starting October 2025 (up to 19 h/week). Students with a Bachelor’s or Master’s degree are welcome to apply.
Application deadline: 07 Sep 25
#AI #DataScience #Chemistry #Hiring
We’re offering a student assistant role starting October 2025 (up to 19 h/week). Students with a Bachelor’s or Master’s degree are welcome to apply.
Application deadline: 07 Sep 25
#AI #DataScience #Chemistry #Hiring
At #PsiK2025 today? Don’t miss Daniel’s talk “Towards time-dependent property predictions with deep equivariant neural networks” at 18:00 in Session B2a (Room C) - work with Tom Frömbgen, Barbara Kirchner & Martin Brehm!
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
August 25, 2025 at 1:13 PM
At #PsiK2025 today? Don’t miss Daniel’s talk “Towards time-dependent property predictions with deep equivariant neural networks” at 18:00 in Session B2a (Room C) - work with Tom Frömbgen, Barbara Kirchner & Martin Brehm!
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
🎉 Congratulations to Sophia Wesely (@swesely.bsky.social) from our group and Franz Thiemann from the research group of Prof. Ralf Tonner-Zech @ralftonner.bsky.social) for receiving the Pre‑Doc Award from Leipzig University!
@unileipzig.bsky.social ! 👏
#CompChem #PhD #TheoreticalChemistry #ML
@unileipzig.bsky.social ! 👏
#CompChem #PhD #TheoreticalChemistry #ML
August 5, 2025 at 2:49 PM
🎉 Congratulations to Sophia Wesely (@swesely.bsky.social) from our group and Franz Thiemann from the research group of Prof. Ralf Tonner-Zech @ralftonner.bsky.social) for receiving the Pre‑Doc Award from Leipzig University!
@unileipzig.bsky.social ! 👏
#CompChem #PhD #TheoreticalChemistry #ML
@unileipzig.bsky.social ! 👏
#CompChem #PhD #TheoreticalChemistry #ML
Hi, I'm Daniel, a PhD student in Julia Westermayr's group. I use ML to explore reaction mechanisms & simulate spectra in photocatalytic systems. Also, I keep our groups Linux infrastructure running. In my freetime I play fistball.
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
July 25, 2025 at 2:33 PM
Hi, I'm Daniel, a PhD student in Julia Westermayr's group. I use ML to explore reaction mechanisms & simulate spectra in photocatalytic systems. Also, I keep our groups Linux infrastructure running. In my freetime I play fistball.
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social
#ML #CompChem #TheoretialChemistry
We are happy to welcome Sascha Mausenberger from the González research group (University of Vienna) to our group! 🎉 Sascha is joining us for a research stay, and we look forward to collaborating and exchanging ideas.
#CompChem
#ML
#TheoreticalChemistry
#Welcome
Übersetzung
#CompChem
#ML
#TheoreticalChemistry
#Welcome
Übersetzung
July 15, 2025 at 7:31 AM
We are happy to welcome Sascha Mausenberger from the González research group (University of Vienna) to our group! 🎉 Sascha is joining us for a research stay, and we look forward to collaborating and exchanging ideas.
#CompChem
#ML
#TheoreticalChemistry
#Welcome
Übersetzung
#CompChem
#ML
#TheoreticalChemistry
#Welcome
Übersetzung
A big thank you to Bell Flavors & Fragrances for welcoming the students of our Machine Learning in Chemistry course and members of the Westermayr group to their production site in Leipzig!
We gained fascinating insights into the world of fragrance and flavor manufacturing!
#ML #Fragrance #Flavor
We gained fascinating insights into the world of fragrance and flavor manufacturing!
#ML #Fragrance #Flavor
July 7, 2025 at 12:07 PM
A big thank you to Bell Flavors & Fragrances for welcoming the students of our Machine Learning in Chemistry course and members of the Westermayr group to their production site in Leipzig!
We gained fascinating insights into the world of fragrance and flavor manufacturing!
#ML #Fragrance #Flavor
We gained fascinating insights into the world of fragrance and flavor manufacturing!
#ML #Fragrance #Flavor
This week, our research group went on a retreat in Zingst at the Baltic sea.
Despite the occasional rain, we enjoyed scientific exchange, group activities, and great food. Thanks to everyone for the great energy and engagement!
#CompChem #ML #TheoreticalChemistry
Despite the occasional rain, we enjoyed scientific exchange, group activities, and great food. Thanks to everyone for the great energy and engagement!
#CompChem #ML #TheoreticalChemistry
June 26, 2025 at 12:40 PM
This week, our research group went on a retreat in Zingst at the Baltic sea.
Despite the occasional rain, we enjoyed scientific exchange, group activities, and great food. Thanks to everyone for the great energy and engagement!
#CompChem #ML #TheoreticalChemistry
Despite the occasional rain, we enjoyed scientific exchange, group activities, and great food. Thanks to everyone for the great energy and engagement!
#CompChem #ML #TheoreticalChemistry
Great turnout at our stand at the Lange Nacht der Wissenschaften!
Together with Bell Flavors & Fragrances GmbH we explored how AI can enhance scent perception.
Big thanks to @peter-fichtelmann.bsky.social for organizing & Bell Flavors and Fragrances GmbH for the fun ducks 🐥!
#FragranceAI #ML #LNdW
Together with Bell Flavors & Fragrances GmbH we explored how AI can enhance scent perception.
Big thanks to @peter-fichtelmann.bsky.social for organizing & Bell Flavors and Fragrances GmbH for the fun ducks 🐥!
#FragranceAI #ML #LNdW
June 22, 2025 at 1:40 PM
Great turnout at our stand at the Lange Nacht der Wissenschaften!
Together with Bell Flavors & Fragrances GmbH we explored how AI can enhance scent perception.
Big thanks to @peter-fichtelmann.bsky.social for organizing & Bell Flavors and Fragrances GmbH for the fun ducks 🐥!
#FragranceAI #ML #LNdW
Together with Bell Flavors & Fragrances GmbH we explored how AI can enhance scent perception.
Big thanks to @peter-fichtelmann.bsky.social for organizing & Bell Flavors and Fragrances GmbH for the fun ducks 🐥!
#FragranceAI #ML #LNdW
We were excited to host Jonny Proppe from @tu-braunschweig.de, who shared cutting-edge research on converting CO₂ into valuable functional molecules using machine learning, cheminformatics, and quantum chemistry.
#CO2Conversion #Sustainability #ML #QuantumChemistry #Cheminformatics #Innovation
#CO2Conversion #Sustainability #ML #QuantumChemistry #Cheminformatics #Innovation
May 20, 2025 at 11:35 AM
We were excited to host Jonny Proppe from @tu-braunschweig.de, who shared cutting-edge research on converting CO₂ into valuable functional molecules using machine learning, cheminformatics, and quantum chemistry.
#CO2Conversion #Sustainability #ML #QuantumChemistry #Cheminformatics #Innovation
#CO2Conversion #Sustainability #ML #QuantumChemistry #Cheminformatics #Innovation
Hi, I’m Peter, a PhD student in Julia Westermayr's group at Leipzig University. My research focuses on AI modelling of fragrance language and odor perception in cooperation with Bell Flavors and Fragrances GmbH.
@peter-fichtelmann.bsky.social
#ML #Fragrance #Bellflavorsandfragrances
@peter-fichtelmann.bsky.social
#ML #Fragrance #Bellflavorsandfragrances
April 22, 2025 at 12:38 PM
Hi, I’m Peter, a PhD student in Julia Westermayr's group at Leipzig University. My research focuses on AI modelling of fragrance language and odor perception in cooperation with Bell Flavors and Fragrances GmbH.
@peter-fichtelmann.bsky.social
#ML #Fragrance #Bellflavorsandfragrances
@peter-fichtelmann.bsky.social
#ML #Fragrance #Bellflavorsandfragrances
I'm Alex, a PhD student in Julia Westermayr's group at Leipzig University since 2024, collaborating with Xiaodong Zou’s group at Stockholm University. I use machine learning to enhance electron diffraction data and refine crystal structures.
@alexanderfeige.bsky.social
#ML #ED #CrystalStructures
@alexanderfeige.bsky.social
#ML #ED #CrystalStructures
April 3, 2025 at 11:36 AM
I'm Alex, a PhD student in Julia Westermayr's group at Leipzig University since 2024, collaborating with Xiaodong Zou’s group at Stockholm University. I use machine learning to enhance electron diffraction data and refine crystal structures.
@alexanderfeige.bsky.social
#ML #ED #CrystalStructures
@alexanderfeige.bsky.social
#ML #ED #CrystalStructures
🎓 2 PhD Positions @scadsai.bsky.social
Join "Learning to Explain: Inference of Chemical Reaction Mechanisms"
under Prof. Dr. Julia Westermayr & Prof. Dr. Peter F. Stadler
📍 Leipzig | 75% TV-L E13 | Start: Fall 2025
🔗 Apply: scads.ai/about-us/job... (T14.1 & T14.2)
#PhDPosition #ML #CompChem
Join "Learning to Explain: Inference of Chemical Reaction Mechanisms"
under Prof. Dr. Julia Westermayr & Prof. Dr. Peter F. Stadler
📍 Leipzig | 75% TV-L E13 | Start: Fall 2025
🔗 Apply: scads.ai/about-us/job... (T14.1 & T14.2)
#PhDPosition #ML #CompChem
Job Offers - ScaDS.AI Dresden/Leipzig
Find your new dream position among the job offers at ScaDS.AI Dresden/Leipzig. We are looking forward to your application!
scads.ai
March 24, 2025 at 8:15 AM
🎓 2 PhD Positions @scadsai.bsky.social
Join "Learning to Explain: Inference of Chemical Reaction Mechanisms"
under Prof. Dr. Julia Westermayr & Prof. Dr. Peter F. Stadler
📍 Leipzig | 75% TV-L E13 | Start: Fall 2025
🔗 Apply: scads.ai/about-us/job... (T14.1 & T14.2)
#PhDPosition #ML #CompChem
Join "Learning to Explain: Inference of Chemical Reaction Mechanisms"
under Prof. Dr. Julia Westermayr & Prof. Dr. Peter F. Stadler
📍 Leipzig | 75% TV-L E13 | Start: Fall 2025
🔗 Apply: scads.ai/about-us/job... (T14.1 & T14.2)
#PhDPosition #ML #CompChem
Hey, I’m Robin, a PhD student in ML and chemistry at Leipzig University. I joined the Westermayr group in 2024. My work focuses on the application of generative machine learning for the targeted design of molecular systems.
@robincurth.bsky.social
#CompChem #ML #TheoreticalChemistry
@robincurth.bsky.social
#CompChem #ML #TheoreticalChemistry
March 18, 2025 at 1:39 PM
Hey, I’m Robin, a PhD student in ML and chemistry at Leipzig University. I joined the Westermayr group in 2024. My work focuses on the application of generative machine learning for the targeted design of molecular systems.
@robincurth.bsky.social
#CompChem #ML #TheoreticalChemistry
@robincurth.bsky.social
#CompChem #ML #TheoreticalChemistry
Reposted by westermayrgroup
I am pleased to announce a preprint of another one of my papers on arxiv with Johannes Dietschreit and Julia Westermayr on: Incorporating Long-Range Interactions via the Multipole Expansion into Ground and Excited-State Molecular Simulation: arxiv.org/abs/2502.21045
Incorporating Long-Range Interactions via the Multipole Expansion into Ground and Excited-State Molecular Simulations
Simulating long-range interactions remains a significant challenge for molecular machine learning potentials due to the need to accurately capture interactions over large spatial regions. In this work...
arxiv.org
March 5, 2025 at 12:57 PM
I am pleased to announce a preprint of another one of my papers on arxiv with Johannes Dietschreit and Julia Westermayr on: Incorporating Long-Range Interactions via the Multipole Expansion into Ground and Excited-State Molecular Simulation: arxiv.org/abs/2502.21045
Reposted by westermayrgroup
Check out my paper on arxiv with Christoph Ortner and
Julia Westermayr introducing a Transferable Machine Learning Potential for Excited States using DeepSets:
lnkd.in/eq5uBcXm
#ChemistryAI #ML #CompChem
Julia Westermayr introducing a Transferable Machine Learning Potential for Excited States using DeepSets:
lnkd.in/eq5uBcXm
#ChemistryAI #ML #CompChem
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
February 20, 2025 at 7:48 AM
Check out my paper on arxiv with Christoph Ortner and
Julia Westermayr introducing a Transferable Machine Learning Potential for Excited States using DeepSets:
lnkd.in/eq5uBcXm
#ChemistryAI #ML #CompChem
Julia Westermayr introducing a Transferable Machine Learning Potential for Excited States using DeepSets:
lnkd.in/eq5uBcXm
#ChemistryAI #ML #CompChem
🚀 New preprint alert!
We've just released our latest work, a collab with Prof. Ueberschär (Magdeburg Univ.) on Machine Learning for Identifying Tumbling Elements in Cheer Sports!
@swesely.bsky.social @robincurth.bsky.social
🔗 Read it here: www.preprints.org/manuscript/2...
#ML #SportsAI
We've just released our latest work, a collab with Prof. Ueberschär (Magdeburg Univ.) on Machine Learning for Identifying Tumbling Elements in Cheer Sports!
@swesely.bsky.social @robincurth.bsky.social
🔗 Read it here: www.preprints.org/manuscript/2...
#ML #SportsAI
February 22, 2025 at 12:57 PM
🚀 New preprint alert!
We've just released our latest work, a collab with Prof. Ueberschär (Magdeburg Univ.) on Machine Learning for Identifying Tumbling Elements in Cheer Sports!
@swesely.bsky.social @robincurth.bsky.social
🔗 Read it here: www.preprints.org/manuscript/2...
#ML #SportsAI
We've just released our latest work, a collab with Prof. Ueberschär (Magdeburg Univ.) on Machine Learning for Identifying Tumbling Elements in Cheer Sports!
@swesely.bsky.social @robincurth.bsky.social
🔗 Read it here: www.preprints.org/manuscript/2...
#ML #SportsAI
We are happy to welcome Giulia Giugliano from the NanoBio Interface Lab in Bologna to our group! 🎉 She is joining us for a 6-month research stay, and we look forward to collaborating and exchanging ideas.
#CompChem #ML #TheoreticalChemistry #Welcome
#CompChem #ML #TheoreticalChemistry #Welcome
February 10, 2025 at 10:24 AM
We are happy to welcome Giulia Giugliano from the NanoBio Interface Lab in Bologna to our group! 🎉 She is joining us for a 6-month research stay, and we look forward to collaborating and exchanging ideas.
#CompChem #ML #TheoreticalChemistry #Welcome
#CompChem #ML #TheoreticalChemistry #Welcome
Hi, I’m Rhyan, a PhD student in ML & chemistry at Uni Leipzig and the first PhD in the Westermayr group (since 2022). I combine quantum mechanics & ML to model excitation energies, spectra, and design functional organic molecules. @rhyanbarrett.bsky.social #CompChem #ML #TheoreticalChemistry
January 27, 2025 at 3:42 PM
Hi, I’m Rhyan, a PhD student in ML & chemistry at Uni Leipzig and the first PhD in the Westermayr group (since 2022). I combine quantum mechanics & ML to model excitation energies, spectra, and design functional organic molecules. @rhyanbarrett.bsky.social #CompChem #ML #TheoreticalChemistry
Internship successfully defended! Congrats to our students Sophia and Fahim! 🎉
Their research topics were "ML for Time Series Classification" and "Large Language Models for the Prediction of Reaction Yields". #CompChem #ML #TheoreticalChemisty #WestermayrGroup
Their research topics were "ML for Time Series Classification" and "Large Language Models for the Prediction of Reaction Yields". #CompChem #ML #TheoreticalChemisty #WestermayrGroup
January 27, 2025 at 1:32 PM
Internship successfully defended! Congrats to our students Sophia and Fahim! 🎉
Their research topics were "ML for Time Series Classification" and "Large Language Models for the Prediction of Reaction Yields". #CompChem #ML #TheoreticalChemisty #WestermayrGroup
Their research topics were "ML for Time Series Classification" and "Large Language Models for the Prediction of Reaction Yields". #CompChem #ML #TheoreticalChemisty #WestermayrGroup
We’re excited to announce that the Westermayr Group is now on Bluesky! 🎉
In the next few weeks, we will present an overview of each group member and their research area, stay tuned for updates!
@jwestermayr.bsky.social
#TheoreticalChemistry #MachineLearning #CompChem #WestermayrGroup
In the next few weeks, we will present an overview of each group member and their research area, stay tuned for updates!
@jwestermayr.bsky.social
#TheoreticalChemistry #MachineLearning #CompChem #WestermayrGroup
January 20, 2025 at 9:46 AM
We’re excited to announce that the Westermayr Group is now on Bluesky! 🎉
In the next few weeks, we will present an overview of each group member and their research area, stay tuned for updates!
@jwestermayr.bsky.social
#TheoreticalChemistry #MachineLearning #CompChem #WestermayrGroup
In the next few weeks, we will present an overview of each group member and their research area, stay tuned for updates!
@jwestermayr.bsky.social
#TheoreticalChemistry #MachineLearning #CompChem #WestermayrGroup