atomistic

Here are 6 public repositories matching this topic...

lamm-mit / DynaGen

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.

research dynamics materials-science failure fracture diffusion-model scientific-machine-learning atomistic

Updated Mar 17, 2023
Jupyter Notebook

sreeharshab / scalar_codes

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Codes for automating standard VASP and VASP-related calculations.

materials vasp molecular-simulation surfaces grain-boundaries vasp-calculations vasp-processing atomistic

Updated Dec 25, 2024
Python

pyiron / structuretoolkit

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build, analyse and visualise atomistic structures for materials science

materials-science ase pyiron atomistic

Updated Dec 24, 2024
Python

EMMC-ASBL / oteapi-asmod

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OTEAPI plugins for atom-scale modelling

electronic modelling atomistic oteapi

Updated Dec 23, 2024
Python

ricalessandri / PolyP3HT

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Polymerize Atomistic P3HT

molecular-dynamics force-fields polymers atomistic

Updated Jun 6, 2020
Shell

aldanads / Material-deposition-interconnects

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KMC - Material deposition (interconnects) - Python

kmc interconnects atomistic

Updated Dec 20, 2024
Python

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atomistic

Here are 6 public repositories matching this topic...

lamm-mit / DynaGen

sreeharshab / scalar_codes

pyiron / structuretoolkit

EMMC-ASBL / oteapi-asmod

ricalessandri / PolyP3HT

aldanads / Material-deposition-interconnects

Improve this page

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