Skip to content

Maurer group documentation

Experimental surface science

Initializing search

maurergroup/MaurerGroupDocs

Home
Group handbook
Technical guides
Tags
Contributing

Maurer group documentation

maurergroup/MaurerGroupDocs

Home
Group handbook
Group handbook
- Induction
- Lab handbook
- Group responsibilities
- Meetings and communication
- Conference travel
- Printing and scanning (Vienna)
- Writing and presenting
  Writing and presenting
- Recommended reading
- Useful software and licences
Technical guides
Technical guides
- Software development and coding
  Software development and coding
- Computers and HPC
  Computers and HPC
- Electronic structure
  Electronic structure
  - ASE
  - FHI-aims
    FHI-aims
    
    Compiling and running
    
    Installing with EasyBuild
    
    ΔSCF / XPS tutorial
  - CASTEP
    CASTEP
    
    Compiling and running
    
    XPS and NEXAFS
    
    DeltaSCF and MolPDOS
  - GPAW
  - VASP
  - ORCA
  - TURBOMOLE
  - JDFTx
  - CC4S
  - Environ
  - ASI
  - Embedding Integral Generator
- Machine learning
  Machine learning
- Visualisation and rendering
  Visualisation and rendering
  - OVITO
  - PyMOL
  - Blender
- Complex research workflows
  Complex research workflows
  - Adaptive ML for gas-surface dynamics
- Experimental surface science Experimental surface science
  Table of contents
  - Maurergroup presentation tutorials
Tags
Contributing

Table of contents

Maurergroup presentation tutorials

pvYd/oKWHpYOM6Ne84Zu8g==;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

This content is protected with AES encryption.

Contact your administrator for access to this page.

September 19, 2023 January 4, 2023

Copyright © 2022-2026 Reinhard Maurer

Made with Material for MkDocs