@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md

pyiron Workshop Repository

Collection of pyiron workshops

Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned Loading

  1. potentials-workshop-2022potentials-workshop-2022Public

    From Electrons to Phase Diagrams

    Jupyter Notebook 8 5

  2. potentials-workshop-2021potentials-workshop-2021Public

    Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook 4 1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public

    Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook 5 2

  4. lammps-workshop-2023lammps-workshop-2023Public

    pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook 5

  5. lanl-tutorial-2025lanl-tutorial-2025Public

    Tutorial at Los Alamos National Laboratory

    Jupyter Notebook 1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public

    DPG Workflows tutorial 2023

    Jupyter Notebook 1

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, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Add copy buttons to all 
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(function(){
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var __m = "github.com";
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Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
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  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


Repositories

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, 'i');
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(function(){
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var __m = "*";
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Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
Loading
  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


Repositories

Showing 10 of 22 repositories
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, 'i');
if (__m === '*' || __re.test(location.href)) {
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(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
Loading
  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


Repositories

Showing 10 of 22 repositories
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, 'i');
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})();
(function(){
try {
var __m = "youtube.com";
var __re = new RegExp('^' + "youtube\\.com" + '

Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
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  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

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, 'i');
if (__m === '*' || __re.test(location.href)) {
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})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
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  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


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@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
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  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


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Showing 10 of 22 repositories
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, 'i');
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} catch(__e) { console.warn('[Userscript:Universal Dark Mode]', __e); }
})();
})();

Skip to content
@pyiron-workshop

pyiron-workshop

The pyiron-workshop organisation is organizing workshops for the pyiron workflow framework.
README.md
pyiron Workshop Repository
Collection of pyiron workshops
Workshop TitleYearWorkshopWebsiteRepositoryVideos
Los Alamos National Laboratory - Executorlib - Tutorial2026📚📦
PMD Tools and Services Walkthrough Session - Workflows2026📝📦
DPG tutorial: Linking large language models with digital workflows for materials science simulations2026📝📚📦
PMD General assembly2025📝📦
Los Alamos National Laboratory - pyiron - Tutorial2025📚📦
Cecam: Virtual Materials Design: AI, Simulation, and Workflows2025📝📚📦
DPG tutorial: Automated Workflows and Machine Learning for Materials Science Simulations2025📝📚📦
IMSI: Data-Driven Materials Informatics2024📝📚📦
Machine Learning Modalities for Materials Science2024📝📚📦
Workshop: FAIR Data Principles in Physical Sciences in NFDI2024📝📚📦
DPG tutorial: Creating and Running Automated Workflows for Material Science Simulations2024📝📚📦
LAMMPS Virtual Workshop and Symposium2023📝📚📦
DPG tutorial: Workflows for Materials Science Simulation2023📝📚📦
NFDI-MatWerk: Workflows for materials science simulations with pyiron2023📝📚📦
German Society for Materials Science2023📝📚📦
Potentials workshop: From Electrons to Phase Diagrams2022📝📚📦📺
Simulation Workflows in Materials Modelling (SWiMM)2021📝📚📦📺
Potentials workshop: Workflows for atomistic simulation2021📝📚📦
pyiron virtual workshop: Workflows for atomistic simulations2020📚📦
Software Tools from Atomistics to Phase Diagrams2020📚📦📺
Atomistic Simulations for Industrial Needs2020📝📦📺
Ab initio Description of Iron and Steel (ADIS): Diffusion and Precipitation2020📝📦

Pinned
Loading
  1. potentials-workshop-2022potentials-workshop-2022Public
    
From Electrons to Phase Diagrams

    Jupyter Notebook
8

5

  2. potentials-workshop-2021potentials-workshop-2021Public
    
Workshop - workflows for atomistic simulation (10-12 March 2021)

    Jupyter Notebook
4

1

  3. phasediagram-workshop-2020phasediagram-workshop-2020Public
    
Software Tools from Atomistics to Phase Diagrams (November 10 and 11, 2020)

    Jupyter Notebook
5

2

  4. lammps-workshop-2023lammps-workshop-2023Public
    
pyiron contribution to the LAMMPS workshop in 2023

    Jupyter Notebook
5

  5. lanl-tutorial-2025lanl-tutorial-2025Public
    
Tutorial at Los Alamos National Laboratory

    Jupyter Notebook
1

  6. dpg-workflows-tutorial-2023dpg-workflows-tutorial-2023Public
    
DPG Workflows tutorial 2023

    Jupyter Notebook
1


Repositories

Showing 10 of 22 repositories
View all repositories
Top languages
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Most used topics
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