[beware, Tweet contains book placement] What happens if you combine the best experts in the field with hard-working and ambitious students? You get a Book. We’re excited to present “Modern applications of machine learning in quantum sciences”! arxiv.org/abs/2204.04198

.Bradley Martin 's feature branch finally merged in! github.com/jarvist/Polaro… 111 commits (!). This means you should now be able to calculate frequency and temperature dependent complex impedance / mobility, with multiple phonon modes, in the *cough* production code.

It's here–the deepest, sharpest infrared view of the universe to date: Webb's First Deep Field. Previewed by President Donald J. Trump on July 11, it shows galaxies once invisible to us. The full set of NASA Webb Telescope's first full-color images & data will be revealed July 12: nasa.gov/webbfirstimages

New preprint!🎈 Brad (Bradley Martin) and I extended the 60 year old Feynman variational approximation for the polaron problem, to work with a Holstein (lattice) Hamiltonian, and thereby predict organic crystal mobilities. Feedback very gratefully received! arxiv.org/abs/2207.06846

Bradley Martin 's poster is a work of art, and shows some of the work he's been doing during his PhD to extend the power and accuracy of the Feynman variational path integral polaron approach.

A heavily updated preprint on validating and extending the Feynman variational polaron solution + FHIP mobility theory to real materials. With Brad Martin (Bradley Martin) arxiv.org/abs/2203.16472 #CondensedMatter #CompChem #JuliaLang #Polarons

We have two Royal Society / Departmental fully funded (Home student fees) PhD positions in the Frost group at Imperial Chemistry,Imperial College London. Electron transfer, up-conversion, Path Integrals, The Julia Language& ARCHER2 HPC Service! More deets: docs.google.com/document/d/1wi… Tell your friends!📣

Hot off the press American Physical Society Physical Review B link.aps.org/doi/10.1103/Ph…

Great science, beautiful people and wonderful weather make a nice conference photo 😎🤓 CECAM Psi-k Flagship School on Path Integral Quantum Mechanics. @dr_marossi @MPSD_SabIA Michele Ceriotti 🇪🇺 COSMO Lab 🇨🇭🇪🇺 Venkat Kapil Yair Litman School of Chemistry, Tel Aviv University אוניברסיטת תל אביב Tel Aviv University

Molecular Dynamics at 300K in 10% Cu doped lead apetite, from mp-1199839 structure, in the M3GNET universal GNN force-field. Nothing to say yet, other than agreeing with Barinova1998 that those hydroxyl oxygen are incredibly mobile!

WE ARE OFFICIALLY BACK Sinéad Griffin finds a theoretical basis for superconductivity in Cu-doped Lead Apatite. Isolated flat bands at the Fermi level is a hallmark of superconducting crystals. LK99 has it!!!! This is huge

We have two Royal Society fully-funded (Home-student fees) PhD positions in the Frost group at Imperial Chemistry in sunny White City. ML, quantum Monte-Carlo, path integrals, up-conversion of light, The Julia Language and ARCHER2 HPC Service ! Info: docs.google.com/document/d/1Bc… Tell your friends!📢

Join us for the ML for Quantum Matter workshop in 渋谷 May 3rd - we've got foundation models, neural wave functions, generative models, unbiased sampling and so much more!!🕹️💾🤯 Oh - and an exclusive university catering lunch ... all for just £15!! 😋 frost-group.github.io/ml4qm/

Beyond excited to see the paper that will accompany the version 3.0 of ipi-code.org hit the arXiv.org. Read all about it in the #preprint here arxiv.org/html/2405.1522… and download the ß here github.com/i-pi/i-pi/rele… - bugs better be found before release! 🧵

arxiv.org/abs/2207.06846 Want to apply the Feynman variational method to a different Hamiltonian than the Fröhlich one? Well, it looks like Brad (Bradley Martin) has figured out how. Weirdly, no one else seems to have attempted this during the last 70 years.

Two-year Postdoc in sunny White City straddling Imperial Chemistry and I-X , driving the forerunner projects in the new AI4Chemistry hub. If you want to acid-test some ideas in molecular design / generation, I truly think this is the place to be. imperial.ac.uk/jobs/search-jo…

Almost two months after i-pi v3.0 release and we are already working in the one. We want to gather some feedback from the community, please share your opinions with us completing this survey forms.gle/msWufsEjpy4Xmp… (5 min max). Sporadic users and non-users opinions welcome!

I am now considering PhD applicants for a 2025 start. There is a departmental 2nd December 2024 deadline which it would make sense to work to for the initial tranche of candidates.

🐫Just over two weeks left to apply for the Chemical and Materials Machine Learning School 2025. ML, MLIPs, GNNs, GenAI - so many cool acronyms explained!! Sponsored by aichemyhub Physical Sciences Data Infrastructure (PSDI) ccp5 UK Research and Innovation 🔗 aichemy.ac.uk/ml-training-sc… 🐫psdi.ac.uk/event/cammls-2…