Attila Cangi
@attilacangi.bsky.social
Head of #MachineLearning for #Materials Design | @hzdr.bsky.social
#physics #materialsscience #compchem #ml4science #AI #ml | https://sites.google.com/view/mlmd/
#physics #materialsscience #compchem #ml4science #AI #ml | https://sites.google.com/view/mlmd/
Pinned
Attila Cangi
@attilacangi.bsky.social
· Dec 16
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
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
www.hzdr.de/db/Cms?pOid=...
www.pnas.org/doi/10.1073/...
#compchem #MaterialsScience
@hzdr.bsky.social @helmholtzai.bsky.social @sandialabs.bsky.social
Reposted by Attila Cangi
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...
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
February 21, 2025 at 12:40 PM
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...
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...
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
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
December 16, 2024 at 9:25 AM
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
www.hzdr.de/db/Cms?pOid=...
www.pnas.org/doi/10.1073/...
#compchem #MaterialsScience
@hzdr.bsky.social @helmholtzai.bsky.social @sandialabs.bsky.social
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
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
November 30, 2024 at 8:02 AM
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
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
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
November 20, 2024 at 4:57 PM
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
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
Reposted by Attila Cangi
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. 😁
August 21, 2024 at 5:28 PM
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. 😁
Reposted by Attila Cangi
A starter pack on the molecular theoretical quantum world.
#compchem #molphys #theochem 🧪
go.bsky.app/UGFPoE2
#compchem #molphys #theochem 🧪
go.bsky.app/UGFPoE2
November 16, 2024 at 10:13 PM
A starter pack on the molecular theoretical quantum world.
#compchem #molphys #theochem 🧪
go.bsky.app/UGFPoE2
#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
ai24.scg.ch
Home
ai24.scg.ch
November 13, 2024 at 8:09 PM
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
ai24.scg.ch
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/
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
Machine Learning for Materials Design
sites.google.com
November 13, 2024 at 8:03 PM
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/
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/
Reposted by Attila Cangi
A first, tentative starter pack go.bsky.app/5dio1MY
November 12, 2024 at 9:51 AM
A first, tentative starter pack go.bsky.app/5dio1MY