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abTEM: transmission electron microscopy from first principles

PyPI version License: GPL v3 Documentation Status Binder DOI

Docs | Install Guide | Examples

abTEM (pronounced "ab-tem", as in "ab initio") provides a Python API for running simulations of (scanning) transmission electron microscopy images and diffraction patterns using the multislice or PRISM algorithms. It is designed to closely integrate with atomistic simulations using the Atomic Simulation Environment (ASE), and to directly use ab initio electrostatic potentials from the high-performance density functional theory code GPAW. abTEM is open source, purely written in Python, very fast, and extremely versatile and easy to extend.

Installation

You can install abTEM using pip:

$ pip install abtem

For detailed instructions on installing abTEM, see the installation guide.

Getting started

To get started using abTEM, please visit our walkthrough or check out one of the examples.

To try abTEM in your web browser, please click on the following Binder link:

Binder

Citing abTEM

If you find abTEM useful in your research, please cite our methods article:

J. Madsen & T. Susi, "The abTEM code: transmission electron microscopy from first principles", Open Research Europe 1:24 (2021), doi:10.12688/openreseurope.13015.1.

Open code from articles using abTEM is available in our repository.

Contact

Please send us bug reports, patches, code, ideas and questions.