Berkeley Lab: Computational Chemistry Unlocked: A Record-Breaking Dataset to Train AI Models has Launched. “Today, Open Molecules 2025, an unprecedented dataset of molecular simulations, was released to the scientific community, paving the way for development of machine learning tools that can accurately model chemical reactions of real-world complexity for the first time. This vast resource, […]

https://rbfirehose.com/2025/05/25/computational-chemistry-unlocked-a-record-breaking-dataset-to-train-ai-models-has-launched-berkeley-lab/

We’re really interested in trace organic #MolecularChemistry. We really want to understand — the things that are used in biology today, like #AminoAcids that make proteins and nucleic acids that make up our genes — were they formed in ancient #asteroid bodies and delivered to the Earth from outer space?” - Dante Lauretta, #OSIRISREx principal investigator
#Bennu

#NASA collected a sample from an asteroid for the first time — here’s why it matters - The Verge
https://www.theverge.com/2023/9/24/23887975/nasa-asteroid-sample-osiris-rex-bennu-explained

After few days here it's time for an #Introduction. I am

... a computational chemist interested in #OrganicChemistry and #MolecularChemistry,
... a researcher / lecturer at the university (#WWU), giving courses for undergraduate and MSc students,
... living in #muenster with a small family and a #dog,
... traveling by #bicycle whenever possible.

I would like to discuss scientific and other topics: #compchem, #python, #Fortran, #Cycling, #hiking, #norway, #ElectronicMusic, #muenster, etc ...