In this research, it was discovered that modeling the atomic distribution within the unit cell improves the lattice parameter estimations of a neural network trained with organic compounds. Iván GÓMEZ PERALTA go.acs.org/64a

First time I get the cover of a magazine and it's in nature! Had this idea to illustrate the diversity captured by the MX Biobank across Mexico and brilliant designer Mauricio Guzman brought it to life inspired by indigenous Huichol art from near my home town. nature.com/nature/volumes…

Ya están construyendo en Punta Colorada en Mixtepec, Puerto Escondido. Esto va a ser un ecocidio, es el último refugio de selva de la región. Salomón Jara quiere hacer un proyecto turístico hasta con plaza comercial. No abandonemos colorada por favor.

I hope the cities of City of Hamilton and City of Burlington learn for these tragedies and prevent for future ones!

Last week I had a blast talking at the cstcc2024 about the #chemailab work on OF-DFT and PIPs using Jax. Thanks to the organizers! #compchem

We are pleased to announce that #LatinXChem24 is sponsored by the book division of Springer Chemistry from Springer-Verlag | Part of Springer Nature. We appreciate your support in this new edition! Visit and register at latinxchem.org

Hahahahahah can’t argue with this!

Adam Reid UoM Blond McIndoe and I are delighted to present the results of our fantastic collaboration revealing that novel Golgi dynamics drive peripheral neuron regeneration. Congratulations Alice Emily Mortimer! biorxiv.org/content/10.110…

Celebratory 🍩!!! Alexande got his ODFT + NFlows paper published in Machine Learning: Science and Technology #compchem

Just one more vmap, bro. Trust me, one more vmap and the model will fly, bro

Automatic differentiation is really the gift of machine learning to all of scientific computing. "Classical" optimization is so much quicker to set up. Just code your objective in jax, compute gradient and hessian (vector product), jit and throw it in script.optimize.minimize.

This is today! "Creating bridges between researchers in Mexico and Canada ". us06web.zoom.us/j/81349362732?… Ax.1 Meeting ID: 813 4936 2732  Access code: 601786 Silva-Acuña CERC Research Group Embamex Canada Institut Courtois FAS-UMontréal

Why are we doing this experiment?

(finally out 🚨!!) Normalizing flows for orbital-free DFT doi.org/10.1088/2632-2… Machine Learning: Science and Technology #compchem

🤣 por eso pago internet!

como extraño la Cineteca Nacional :(