Attila Cangi

Postdoctoral Position in Data Science for Glycan Design

Postdoctoral Position in Data Science for Glycan Design available in my group at @mpici.bsky.social!

Join us to develop a platform that integrates #moleculardynamics simulations and #dataanalytics to facilitate the design of #glycans

#glycotimes #ERCPoC

jobs.mpikg.mpg.de/jobposting/c...

New simulation method sharpens our view into the Earth’s interior: Materials science method could advance neuromorphic computing for artificial intelligence - Helmholtz-Zentrum Dresden-Rossendorf, HZD... How does the Earth generate its magnetic field? While the basic mechanisms seem to be understood, many details remain unresolved. A team of researchers from the Center for Advanced Systems Understandi...

Just published in @pnas.org! Molecular-spin dynamics and #MachineLearning for studying #iron in Earth's core and for modeling magnetic materials.

www.hzdr.de/db/Cms?pOid=...
www.pnas.org/doi/10.1073/...

#compchem #MaterialsScience
@hzdr.bsky.social @helmholtzai.bsky.social @sandialabs.bsky.social

mala-project Repositories for the Materials Learning Algorithms (MALA) - source code, data, additional info. - mala-project

For more details, check out the #MALA code repository: github.com/mala-project

Predicting electronic structures at any length scale with machine learning - npj Computational Materials npj Computational Materials - Predicting electronic structures at any length scale with machine learning

Time for a virtual handshake. Meet #MALA, the Materials Learning Algorithms for predicting the #ElectronicStructure based on #MachineLearning for length scales well beyond standard #DFT. Here we model a stacking fault in a #beryllium slab with > 100,000 atoms. #CompChem #MatSci

tinyurl.com/49apzhbz

How do you compute the electrical conductivity of #hydrogen across a range of temperatures and pressures?

Find out how we analyze Ohm's law on a microscopic scale using time-dependent #DFT in our latest paper:
doi.org/10.1088/2516...

#chemsky #compchem #materials
@hzdr.bsky.social

The logos of the journals in the Machine Learning series recently launched by IOP Publishing. Each logo shows two hands (one 'human' and one 'robotic') embracing a brain/network (blue logo for Machine Learning: Science and Technology), planet Earth (green logo for Machine Learning: Earth), a heart (pink logo for Machine Learning: Health) and a gear (orange logo for Machine Learning: Engineering)

We at #IOPPublishing launched a new #MachineLearning series (ioppublishing.org/publications...), and I am so happy (and proud) of these journals that I can't stop talking about them. Please do my friends and my family a favor and ask me to tell *you* about the journals. They'll be grateful. 😁

could i be added, please?

A starter pack on the molecular theoretical quantum world.

#compchem #molphys #theochem 🧪

go.bsky.app/UGFPoE2

Swiss Chemical Society (SCS) Symposium on #AI 2024 «Critical Use of AI in Quantum Chemistry» on November 25th, 2024 @University of Fribourg, Department of #Chemistry

ai24.scg.ch

Machine Learning for Materials Design Machine Learning for Materials Design

Hi!

In my group, we pursue materials innovation through #MachineLearning & #computational modeling, with a focus on sustainable materials.

Our applications: #semiconductors, spintronics, neuromorphic devices, thermoelectrics, & #energy storage devices.
#chemsky #ML

sites.google.com/view/mlmd/

A first, tentative starter pack go.bsky.app/5dio1MY