Postdoctoral Position in Data Science for Glycan Design available in my group at @mpici.bsky.social! Join us to develop a platform that integrates #moleculardynamics simulations and #dataanalytics to facilitate the design of #glycans #glycotimes #ERCPoC jobs.mpikg.mpg.de/jobposting/c...

Just published in @pnas.org! Molecular-spin dynamics and #MachineLearning for studying #iron in Earth's core and for modeling magnetic materials. www.hzdr.de/db/Cms?pOid=... www.pnas.org/doi/10.1073/... #compchem #MaterialsScience @hzdr.bsky.social @helmholtzai.bsky.social @sandialabs.bsky.social

Time for a virtual handshake. Meet #MALA, the Materials Learning Algorithms for predicting the #ElectronicStructure based on #MachineLearning for length scales well beyond standard #DFT. Here we model a stacking fault in a #beryllium slab with > 100,000 atoms. #CompChem #MatSci tinyurl.com/49apzhbz

How do you compute the electrical conductivity of #hydrogen across a range of temperatures and pressures? Find out how we analyze Ohm's law on a microscopic scale using time-dependent #DFT in our latest paper: doi.org/10.1088/2516... #chemsky #compchem #materials @hzdr.bsky.social

We at #IOPPublishing launched a new #MachineLearning series (ioppublishing.org/publications...), and I am so happy (and proud) of these journals that I can't stop talking about them. Please do my friends and my family a favor and ask me to tell *you* about the journals. They'll be grateful. 😁

A starter pack on the molecular theoretical quantum world. #compchem #molphys #theochem 🧪 go.bsky.app/UGFPoE2

Swiss Chemical Society (SCS) Symposium on #AI 2024 «Critical Use of AI in Quantum Chemistry» on November 25th, 2024 @University of Fribourg, Department of #Chemistry ai24.scg.ch

Hi! In my group, we pursue materials innovation through #MachineLearning & #computational modeling, with a focus on sustainable materials. Our applications: #semiconductors, spintronics, neuromorphic devices, thermoelectrics, & #energy storage devices. #chemsky #ML sites.google.com/view/mlmd/

A first, tentative starter pack go.bsky.app/5dio1MY