JuLib | Articles & more - {"Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)"}

Application of Machine-Learning Models and XAI in Materials Science Using Magnetic DFT Data

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
OpenAccess

2

Dataset

Density of states of full and inverse Heusler magnetic alloys

Hilgers, Robin
2023

2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

3

Curie Temperature Prediction Models of Magnetic Heusler Alloys Using Machine Learning Methods Based on First-Principles Data From Ab-initio KKR-GF Calculations

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
OpenAccess

4

Machine Learning Emulators for First-Principles Simulations of Quantum Materials

Wasmer, Johannes
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
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5

Benchmark study of symmetry-adapted ML-DFT models for magnetically doped topological insulators

Wasmer, Johannes
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
Get full text OpenAccess

6

Workflow, data processing, data analysis and predictive ML scripts used for DFT-integrated machine learning methodology in combination with the FLAPW code FLEUR

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

7

Curie Temperature Prediction of Magnetic Heusler Alloys Using Ab-initio Data

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
OpenAccess

8

Code collection for machine learning assisted materials screening in the search for novel half-metallic Heusler alloys

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

9

Magnetic Multilayers: From High-Throughput Ab-initio Calculations to Predictive Machine Learning

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
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10

Website

Best of Atomistic Machine Learning

Wasmer, Johannes
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

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Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data

JuDFTteam/aiida-jutools

Wasmer, Johannes
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

12

Preprint

Hilgers, Robin
2023

2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
Get full text OpenAccess

13

Preprint

Application of batch learning for boosting high-throughput ab initio success rates and reducing computational effort required using data-driven processes

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
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14

Dataset

Relaxed thin film structures of one, two, and three magnetic 3d transition metal layers on FCC noble-metal substrates based on FLAPW PBE calculations

Hilgers, Robin
2023

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

15

Benchmark study of symmetry-adapted ML-DFT models for magnetically doped topological insulators

Wasmer, Johannes
2022

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
Get full text OpenAccess

16

Lecture

SiSc Lab 2022, Project 6. A machine learning playground in quantum mechanical simulation.

Wasmer, Johannes
2022

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”

17

Benchmark study of symmetry-adapted ML-DFT models for magnetically doped topological insulators

Wasmer, Johannes
2022

“...Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)...”
Get full text OpenAccess

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