With Michele Ceriotti, Gabor Csanyi, and Lixin Sun, we are organizing an awesome conference in Berlin on June 19-23: "Bridging length scales with machine learning: from wavefunctions to thermodynamics". Check it out: sites.google.com/view/cecam-psi…

Looking for new #postdoc & #PhD group members to further improve & apply our accurate & efficient electronic structure methods for challenging questions in (bio)chem & materials science. Details👇👉t.ly/mWwt #chempostdoc Chemjobber Academic Jobs #chemjobs #ML #AI

📢Looking for postdocs to join my new group at UMich! We will design molecules with pharmaceutical and environmental relevance through exploration of molecular dynamics Feel free to RT, more details in comments

Had a great time getting to know everyone and discussing every aspect of deep-learning QMC! Glad to be a part of such an amazing community.

First official release of the DeepQMC code for Quantum Monte Carlo with #NeuralNetworks wave functions, including architectures like PauliNet, FermiNet and DeepErwin. By Zeno Schätzle, P. Bernát Szabó, Matej Mezera and @jhrmnn arxiv.org/abs/2307.14123

New, 2023 version of the MRCC #compchem package is released today at mrcc.hu open-source for academic use! Thanks for the developer team for the great contributions! (If interested, you can join us for a PhD or postdoc here: fkt.bme.hu/~theoreticalch…)

I have several positions available in my group at Freie Universität Berlin. Come work with us on the combination of ML and stat mech for the development of protein models at different resolutions and cool applications in collaboration with experimentalists!

Hi! I am starting a group at Stockholm University in AI for protein applications. Currently hiring a PhD student: web103.reachmee.com/ext/I007/927/j… and a postdoc: web103.reachmee.com/ext/I007/927/j…. Come work with me in beautiful Stockholm!

Does alleviating poverty increase cognitive performance? Contrary to prior findings, we observed NO supporting evidence for this in our recent paper using an RCT. New paper out! shorturl.at/qyJP2 Chris Blattman Julian Jamison Bence Palfi Szécsi Péter Thread below 1/n

You're ... doing a PhD? 🎓 ... experienced with quantum chemistry / electronic structure calculations? ⚛️ ... enthusiastic connecting this with SOTA AI research? 🤖 Apply for this amazing internship opportunity! 🔥 jobs.careers.microsoft.com/global/en/job/… #MachineLearning #Research

Accurate data for #MachineLearning up to medium-sized molecules 30x faster, in hours-days via reduced-cost gold standard #compchem Demo with Apurba Nandi using mrcc.hu & Delta-ML for high-fidelity PES, structure, & vibrational properties sciencedirect.com/science/articl…

Happy to share our highly accurate and scalable method to compute excited states with deep variational Monte Carlo now published in JCIM & JCTC Journals. Build on David Pfau's fantastic Psiformer architecture. I hear these things also publish in Science Magazine now 😅 pubs.acs.org/doi/10.1021/ac…

Introducing Neural Electron Real-space Density (NERD) models! 🧠 You’ve solved the electronic Schrödinger equation using PauliNet or Psiformer - what next? Important properties come from the 1-electron density (the marginal #MachineLearning) arxiv.org/abs/2409.01306