If your interest is in #DataScience, #HPC, #complexsystems and #AI, then join us at Center for Advanced Systems Understanding at HZDR in #Görlitz! Apply as well via ➡️hzdr.de/summerstudents

Join us at Center for Advanced Systems Understanding at HZDR and HZDR @[email protected] as a PhD student for an exciting opportunity to work on a project that combines aspects of #MachineLearning and #compchem. More details here: hzdr.de/db/Cms?pNid=49… #AcademicTwitter #postdocs #researchjobs #academicjobs #phdjobs

My great pleasure to be a guest editor with Attila Cangi for the 'Quantum Chemistry and AI: Learning from each other' special issue for Machine Learning: Science and Technology. Also a great joy to work with @PierMorgante.

I am delighted to be serving as a guest editor for this exciting special issue with Stefan Vučković and @PierMorgante for Machine Learning: Science and Technology. #QuantumChemistry and #AI! Join the conversation, submissions are open! #MachineLearning #compchem iopscience.iop.org/collections/ml…

In Berlin next week? Drop by #DPG Spring Meeting to learn more about #MachineLearning for #nanomaterials. We will be presenting our Materials Learning #Algorithms (MALA) framework. #compchem #Physics #AI github.com/mala-project/m…

Density functional theory is powerful, but finding the right exchange-correlation (XC) potential is tricky. Our new paper with UC Merced explores how #AI can solve this fundamental problem. #compchem HZDR @[email protected] Center for Advanced Systems Understanding at HZDR Helmholtz AI IOP Publishing tinyurl.com/ys4apd4c

Great new work by Karan Shah Attila Cangi Permanent Eko et al UC Merced Chemistry UC Merced Nat Sci HZDR @[email protected] Center for Advanced Systems Understanding at HZDR Helmholtz AI- 'Inverting the Kohn–Sham equations with #physics-informed #machinelearning'-iopscience.iop.org/article/10.108… #PINNs #compchem #DFT #materials #HPC #AI

Excited about our new paper on #materials analysis with #machinelearning to explore potential energy surfaces. Applying this to iron hydride yields new insights into its complex structure. #science #physics #AI #compchem doi.org/10.1103/PhysRe… HZDR @[email protected] Center for Advanced Systems Understanding at HZDR

Did you know that Center for Advanced Systems Understanding at HZDR supports events on #complexsystems research with up to €10,000? Help with the organization of e. g. workshops & summer schools is also included. Check the details, apply – and see you soon in #Goerlitz! 🧭 #ScultetusCenter casus.science/workshop-and-s…

Don't forget to join the next Distinguished Lecture this Wednesday!

Are you interested in #quantum phase transitions, polymorphism in molecular #crystals & conformational dynamics in #biomolecules? Then join our next Center for Advanced Systems Understanding at HZDR Distinguished Lecture w/ Barak Hirshberg 🎗️! #MolecularSimulations Tel Aviv University HZDR @[email protected] 👉 casus.science/events/casus-d…

I am pleased to announce that our new research group website is now online. Check it out: sites.google.com/view/mlmd/ Keep up to date on our research activities in #MachineLearning for #Materials and stay tuned for more news. #compchem #compphys #theochem #condmat #AI

Please apply directly through the link or share with ppl who may be interested

Putting my best dress on 💃, I had the pleasure of visiting Center for Advanced Systems Understanding at HZDR HZDR @[email protected] and telling them about bosonic PIMD at quadratic scaling Yotam Feldman and stochastic resetting for enhanced sampling Ofir Blumer. Thank you for having me Thomas D. Kühne, Attila Cangi and Tobias!

It was a pleasure, great talk Barak Hirshberg 🎗️ and enjoyable discussions about #compchem topics like #moleculardynamics.

Join us for the "Progress in Ensemble Density Functional Theory: Opportunities and Challenges" workshop in Durham, UK, from July 22-25, 2024! The deadline for abstract submission is May 20th, 2024: sites.google.com/view/edft-work….

🚀 The past weeks have been a whirlwind at CASUS! 🎥 Check out the highlights from the Helmholtz Open Hackathon we hosted at the end of April. 🙌 Congrats to all participants and co-organizers for the fruitful and inspiring event in #Görlitz! OpenACC Forschungszentrum Jülich | @[email protected] Helmholtz Information & Data Science Academy HIDA

🚀 In a preprint with Karan Shah on electron dynamics simulations, we've accelerated state-of-the-art time-dependent #DFT using #NeuralOperators. #MachineLearning #compchem #ICML2024 Helmholtz AI HZDR @[email protected] Center for Advanced Systems Understanding at HZDR ICML Conference doi.org/10.48550/arXiv…

I'm happy to have been invited to write this perspective paper on #MachineLearning in #ElectronicStructureTheory with applications in #compchem and #MaterialsScience. nature.com/articles/s4358… HZDR @[email protected] Center for Advanced Systems Understanding at HZDR HZDR @[email protected] Nature Computational Science

Tsinghua University Berkeley Physics Berkeley Lab An accompanying News & Views by Attila Cangi is now available! nature.com/articles/s4358… ➡️rdcu.be/dWzXU