🎥First recording of this term of Federico Grasselli from EPFL on "Ab initio charge transport of ionic fluids" is available now: youtu.be/xHFzYxiwqIo

🎥Second recording of this term of Jennifer Coulter from Harvard University on "High-performance predictions of electron and phonon transport from first principles" is available to watch on YouTube now: youtu.be/oLOdMtpnDCA

🎥Philipp Pracht from Cambridge on "Efficient calculation of the absolute molecular entropy" now available to watch on YouTube: youtu.be/7N1OsCp4ztA

‼️Great talks next Mon 13th 2pm‼️ 1⃣ Mie Andersen, Aarhus University: "Machine learning methods for heterogeneous catalysis" 2⃣ Mohamad Moosavi, University of Toronto: "Machine learning for nanoporous materials design" Zoom details: ljc.group.cam.ac.uk/ljc-events/dis…

🎥Alexandre Tkatchenko, TCPUniLu on "Fully Quantum (Bio)Molecular Simulations: Dream or Reality?" now available to watch on YouTube: youtu.be/Jay_lyPNzZU

🎥Taylor Sparks from Materials Science University of Utah on "Moving beyond screening via generative machine learning models" now available to watch on YouTube: youtu.be/fpfnnuOS2VM

‼️Local Lennard-Jones Centre talks today Mon 20th 2pm Pfizer Theatre Cambridge Chemistry ‼️ 1⃣ Vijay Ganesh: Information scrambling: a path integral perspective 2⃣ Lucy Cowell: Machine learning to predict protein function from sequence Zoom details here ljc.group.cam.ac.uk/ljc-events RTs please!

starting in 10 min!

‼️Lennard-Jones Centre Talks today 2pm @ Pfizer Theatre Cambridge Chemistry 1⃣ Laurent Chaput, Ab initio calculations of phonon-phonon and electron-phonon interactions 2⃣Hugh Burton Excited states, symmetry breaking, and multiple solutions in electronic structure ljc.group.cam.ac.uk/ljc-events/dis…

‼️Excited for Daan Frenkel's keynote talk this Fri 28/04 at 3pm‼️ "Trying to catch up with Gibbs: How simulators run into problems that Gibbs had already solved" He is one of the founders of the LJC and a true giant in the field. Virtual access details: ljc.group.cam.ac.uk/ljc-events/dis…

‼️LJC Virtual Discussion Seminars kickoff at 2pm @M__Simoncelli Andreea Filip Lennard-Jones Centre 1⃣ Guglielmo Mazzola A quantum computing algorithm to speed up Metropolis sampling 2⃣ Jinggang Lan Solvated electron from first principles and machine learning ljc.group.cam.ac.uk/ljc-events/dis…

‼️Mon 2pm is the next in-person DG with lunch before 1pm‼️ 1⃣ Elena Gelzinyte "Transferable MLIP for Bond Dissociation Energies of Drug-like Molecules" 2⃣ Daniel Graf "Enhancing Energetics within the Framework of Density-Corrected DFT" Virtual access: ljc.group.cam.ac.uk/ljc-events/dis…

For Cambridge locals, or those that don’t mind the travel for one day: We are organising a LJC showcase day on October 9th. It’s a rich research focused event, with several talks, a panel discussion and a poster session (with prizes!). Sign up: forms.gle/hU8A4Khhno2CiH…

There will be a special LJC seminar next week, Sep 14th at 2pm (UK time)! Dr Thomas Sayer University of Colorado Boulder   “Illuminating the Quantum Dynamics in Photoelectrochemistry“ Details and zoom link: ljc.group.cam.ac.uk/ljc-events/dis…

"(Why) do we need symmetry in atomic-scale machine learning?" ⚠️ Shots about to be fired, take cover! If you are not at Lennard-Jones Centre, slides can be found here tinyurl.com/ljc-2023-cerio…

Day 3 of the inaugural LJC meeting at Downing College just started with Teresa Head-Gordon Lab talking about Importance of Electrostatics and the Interfaces for Chemical Transformations. Many more giants in the field still to come, or already presented! Full program: ljc.group.cam.ac.uk/ljc-events/ina…

📢📢LJC Virtual Discussion Seminars Lennard-Jones Centre for the new term kickoff at 2pm today 1⃣ Stephan Stefan @GrimmeLab: New 'low-cost' electronic structure methods for large systems 2⃣ Hengxin Tan: Different charge density waves in emergent kagome materials ljc.group.cam.ac.uk/ljc-events/dis…

We're hosting an event on how GPUs benefit atomistic modelling on 10:30-12 24/11/23. Dr. Phil Hasnip, Arjen Tamerus, Dávid Kovács, and Ilyes Batatia will share their experiences. There is a hybrid option! Details: talks.cam.ac.uk/talk/index/208… Registration: forms.gle/ihABTntDAWktfU…

Is ice a primarily hydrogen bonded? Pavan Ravindra Xavier R. Advincula challenge this idea. In nanoscale confinement, it turns into a 1D hydrogen bonded material with vdW stabilized chains! arxiv.org/abs/2312.01340 More coming from Pavan's MPhil @icegroupcam Cambridge Chemistry !

Last chance to sign-up to the LJC showcase day on the 28th October. Join for a day of materials and molecular modelling. Applications for posters still open. Big thank you to our sponsors Radical AI Valence Labs Quantinuum