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atomistic

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The DynaGen model allows the prediction of dynamical field data based on microstructure input. The model is exemplified to dynamic fracture problems in brittle materials.

  • UpdatedMar 17, 2023
  • Jupyter Notebook

Codes for automating standard VASP and VASP-related calculations.

  • UpdatedJan 14, 2025
  • Python

build, analyse and visualise atomistic structures for materials science

  • UpdatedMar 24, 2025
  • Python

OTEAPI plugins for atom-scale modelling

  • UpdatedMar 3, 2025
  • Python

Polymerize Atomistic P3HT

  • UpdatedJun 6, 2020
  • Shell

KMC - Material deposition (interconnects) - Python

  • UpdatedMar 19, 2025
  • Python

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