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hrishit.bsky.social
Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets | ChemRxiv - doi.org/10.26434/che...
#machinelearning #computationalchemistry #computationalmaterialsscience #condensedmatterphysics
Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets
Density-functional Theory (DFT) has been the mainstay of solid-state physicists and quantum chemists alike for the better part of several decades to carry out first-principles calculations on solid ma...
doi.org
September 25, 2025 at 9:37 PM
jmlmc.bsky.social
Hybrid Chance-Constrained Optimal Power Flow under Load and Renewable Generation Uncertainty using Enhanced Multi-Fidelity Graph Neural Networks

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
HYBRID CHANCE-CONSTRAINED OPTIMAL POWER FLOW UNDER LOAD AND RENEWABLE GENERATION UNCERTAINTY USING ENHANCED MULTI-FIDELITY GRAPH NEURAL NETWORKS
Power systems are transitioning toward renewable sources and electrification, introducing significant uncertainties in generation and demand that optimal power...
dl.begellhouse.com
February 26, 2026 at 5:00 PM
bcmaterials.bsky.social
#BCMaterials_Talks |
During his recent visit to South Korea, our
#Ikerbasque Research Professor Ivan Infante gave two invited talks on quantum dots at #Samsung and #KAIST, opening promising opportunities for collaboration with Korean scientists. #QuantumDots #ComputationalMaterialsScience
July 9, 2026 at 3:43 PM
alloybase.app
Materials Project, AFLOW, OQMD, or JARVIS-DFT: which one do you query first?

The answer depends on what you're measuring. We compared all four on coverage, DFT settings, and update cadence.

Full comparison → alloybase.app/blog/posts/m...

#MaterialsInformatics #ComputationalMaterialsScience #DFT
alloybase.app
March 16, 2026 at 8:53 PM
jmlmc.bsky.social
Flow Map Learning for Unknown Dynamical Systems: Overview, Implementation, and Benchmarks

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
February 23, 2026 at 5:00 PM
jmlmc.bsky.social
Physics-Informed Neural Networks for Modeling of 3D Flow Thermal Problems with Sparse Domain Data

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
February 20, 2026 at 5:00 AM
jmlmc.bsky.social
Transfer Learning on Multi-Dimensional Data: A Novel Approach to Neural Network-Based Surrogate Modeling

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
February 17, 2026 at 5:00 AM
jmlmc.bsky.social
ChatGPT for Programming Numerical Methods

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
February 12, 2026 at 3:09 PM
jmlmc.bsky.social
AI-Enabled Cardiovascular Models Trained on Multifidelity Simulations Data

dl.begellhouse.com/journals/558...

#MachineLearningMaterials #AIinMaterials #ComputationalMaterialsScience
February 9, 2026 at 8:01 PM