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Attila Cangi

@attilacangi.bsky.social

480 followers 510 following 7 posts

Head of #MachineLearning for #Materials Design | @hzdr.bsky.social #physics #materialsscience #compchem #ml4science #AI #ml | https://sites.google.com/view/mlmd/

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Attila Cangi @attilacangi.bsky.social · Dec 16

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

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...

www.hzdr.de

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Reposted by Attila Cangi

Martina Delbianco @delbiancom.bsky.social · Feb 21

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...

Postdoctoral Position in Data Science for Glycan Design

jobs.mpikg.mpg.de

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Attila Cangi @attilacangi.bsky.social · Dec 16

www.hzdr.de

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Attila Cangi @attilacangi.bsky.social · Nov 30

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

mala-project

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

github.com

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Attila Cangi @attilacangi.bsky.social · Nov 30

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

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

tinyurl.com

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Attila Cangi @attilacangi.bsky.social · Nov 20

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

Electrical conductivity of warm dense hydrogen from ohm's law and time-dependent density functional theory - IOPscienceSearch

Electrical conductivity of warm dense hydrogen from ohm’s law and time-dependent density functional theory, Kushal Ramakrishna, Mani Lokamani, Attila Cangi

doi.org

Reposted by Attila Cangi

Pierpaolo Morgante (He/His) @piermorgante.bsky.social · Aug 21

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. 😁

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Attila Cangi @attilacangi.bsky.social · Nov 17

could i be added, please?

Reposted by Attila Cangi

Mario Barbatti @mbarbatti.bsky.social · Nov 16

A starter pack on the molecular theoretical quantum world.

#compchem #molphys #theochem 🧪

go.bsky.app/UGFPoE2

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Attila Cangi @attilacangi.bsky.social · Nov 13

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

Home

ai24.scg.ch

Attila Cangi @attilacangi.bsky.social · Nov 13

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/

Machine Learning for Materials Design

sites.google.com

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Reposted by Attila Cangi

Max Planck Institute of Colloids & Interfaces (MPICI) @mpici.bsky.social · Nov 12

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

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