Sina Klostermann

Northern lights as seen from south Germany (actually, from the roof of my house) 🤩 #AuroraBorealis

All good things must come to an end: @SvKlostermann defended her Ph.D. yesterday. Congratulations, Dr. Klostermann 🎉👩‍🎓! It was a pleasure working with you - all the best for your future (continuing in battery research) 🔋.

@GroupKaestner Thank you so much for the wonderful time in the group!👩🏼‍🎓🔋It was an honour to do my PhD with you!

How do lithium-sulfur batteries 🔋🪫work in detail? @SvKlostermann's latest simulations 💻⚗️🧪with @KoehnGroup and M.R. Buchmeiser show why sulfurized poly(acrylonitrile) is a promising cathode material. Open-access in PCCP. pubs.rsc.org/en/content/art…

Be sure to meet us on Wednesday and Thursday at our posters! :D

We used Gaussian process regression to optimize the choice of grid points for vibrational structure theory. 💻⚗️Thanks to the Rauhut group for this nice cooperation! Thanks to @SimTechStuttga2 for 💰. aip.scitation.org/doi/10.1063/5.…

Read our latest @PCCP HOT article, FREE to access now! Find it here: xlink.rsc.org/?doi=10.1039/D…

Our newest paper on molecular models of ZrO2 oxygen defects and their reactions with CO2 is online. Check it out here: …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ej…

Out now in PCCP, a study of the capability of transfer learning for generating chemically accurate interatomic neural network potentials 💻 #compchem Read it here 👇 doi.org/10.1039/D2CP05… @ViktorZaverkin @DHolzmueller @luca_bonfirraro @GroupKaestner @SimTechStuttga2

Interested in cathode materials for lithium-sulfur batteries? 💻🪫🔋How can a nitrogen-rich aromatic carbon backbone help? Have a look @SvKlostermann's contribution! Open-access. …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ba…

How can #MLPotentials reach coupled-cluster accuracy without generating a large data set? With @DHolzmueller, @luca_bonfirraro, and @GroupKaestner, we study the capability of #TransferLearning to develop chemically accurate interatomic potentials: arxiv.org/abs/2212.03916. 1/

Thank you so much #qc4c winter school in theoretical chemistry for #QuantumComputing for chemistry 🧪💻 it was a pleasure to be here in Helsinki! #bestposteraward @ViktorZaverkin @sarahsuchaneck @katringugeler @luca_bonfirraro

Our preprint on applying #MachineLearning to chemically complex multicomponent alloys is finally out! Our #GaussianMoment neural networks (gitlab.com/zaverkin_v/gmnn) and #MomentTensor potentials show high accuracy and exceptional performance in comparison to classical potentials.

check out my latest publication 😀

Thanks to @GroupKaestner and Jörg Main at Stuttgart for hosting me to give talks at the Institute for Theoretical Chemistry (on @SustainableNano) yesterday, and at the Institute for Theroetical Physics (on TST) today. And for a great turnout at both!

Proud to see my first PhD student Sarah Maier presenting her research at the Day of organic Chemistry in Stuttgart! Congrats on a great talk!

In 2014, Russia invaded my home town (#Luhansk, #Ukraine). Thus, my parents were forced to move to another city (#Sjewjerodonezk, #Ukraine). In 2022, Russia also invaded #Sjewjerodonezk and demolished it. That is how my parents' home looks now. #StandWithUkraine #StopRussia

Our latest Advance Article from @ViktorZaverkin, @DHolzmueller I. Steinwart & @GroupKaestner: "We show how to efficiently generate better data sets for neural network interatomic potentials using batch active learning." Read the full article #openaccess: doi.org/10.1039/D2DD00…

Looking for a PhD or postdoc position in #catalysis research? Then check out our job offers in CRC 1333 and become part of our interdiciplinary and international team, based in Stuttgart, Germany! ➡️crc1333.de/job-offers/ #Materials #Chemistry #Simulation #dataScientist

Following Roald Hoffmann’s trend, @andrewwhite01 killed #compchem at #compchemGRC 🔥🔥🔥🔥