AI in Biomolecular, Materials, and Molecular Design symposium at CSC Toronto. xcdsystem.com/cic/abstract/a… If you are working on the physics of AI in chemistry, don't forget to submit your abstract by Monday! International guests are welcome!

Postdoctoral Fellowships at the University of Toronto: Development of sensitive and fast photodetectors (materials, devices, and systems for efficient and fast sensing applications) light.utoronto.ca/careers/

Any advice on how to efficiently run DFT on LiCoO2 (or any other related layered NMC) surface simulation? So far, VASP, CP2K, Quantum Espresso really struggle with SCF convergence. (Obviously, I'm already using Broyden and high electronic temperature)

@cityoftoronto @oliviachow are you ok with your name being mentioned here? After participating in the Ukrainian festival just two days ago

No mention of RT during film intro either @TIFF_NET

A new preprint by @FelTherrien "Using GNN property predictors as molecule generators" arxiv.org/abs/2406.03278 employs gradient ascent to generate molecules with target properties. Despite its simplicity, it rivals state-of-the-art generative models, achieving higher diversity.

a new preprint by @FelTherrien "Using GNN property predictors as molecule generators" arxiv.org/abs/2406.03278 employs gradient ascent to generate molecules with target properties