ATAT is a generic name that refers to a collection of alloy theory tools developped by Axel van de Walle, in collaboration with various research groups and with various sources of financial support.
This work is licensed under a Creative Commons Attribution-NoDerivatives 4.0 International License.
More details regarding how the generic license terms applies in specific context of ATAT can be found here.
New!
- ATAT forum
- The "P4" (Piecewise Polynomial Potential Partitioning) software for modeling mechanically unstable dynamically stabilized phases
- The Thermodynamic DataBase DataBase (TDBDB): A search engine for openly available TDB (Thermodynamic DataBase) files.
- New software tool for high-throughput CALPHAD (CALculation of PHAse Diagram) from first-principles: sqs2tdb (included in ATAT).
- New code for efficiently calculating melting points with ab initio methods: Solid Liquid in Ultra-Small Coexistence with Hovering Interface (SLUSCHI)
- New accelerated molecular dynamics code: Stochastic Iterations to Strengthen Yield of Path Hopping over Upper States (SISYPHUS)
- The MIT Ab-initio Phase Stability code, developped in collaboration with Gerd Ceder's group, now at the University of California, Berkeley.
- The Eazy Monte Carlo Code, developped in collaboration with Mark Asta's group, now at the University of California, Berkeley.
- The Constituent Strain Extension, developped in collaboration with Alex Zunger's group, now at the University of Colorado, Boulder.
- Whole toolkit (Stable version)
- Beta version of the latest update
- Manual: [html] [pdf] [dvi]
- Papers describing the algorithms in ATAT and its use:
- References about ATAT BibTeX file.
- Slides of
- an invited talk at the 2002 TMS annual meetings,
- an invited talk at the 2004 TMS annual meetings and
- a plenary talk at the 2017 CALPHAD meeting.
- A short tutorial.
- A nice tutorial by Martin Baker.
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