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.. Amp documentation master file, created by
sphinx-quickstart on Thu Jul 30 17:27:50 2015.
You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
Credits
=======
People
------
This project is developed primarily by **Andrew Peterson** and **Alireza Khorshidi** in the Brown University School of Engineering. Specific credits:
* Andrew Peterson: lead, PI, many modules
* Alireza Khorshidi: many modules, Zernike descriptor
* Zack Ulissi: tensorflow version of neural network
* Muammar El Khatib: general contributions
We are also indebted to Nongnuch Artrith (MIT) and Pedro Felzenszwalb (Brown) for inspiration and technical discussion.
Citations
---------
We would appreciate if you cite the below publication for any use of Amp or its methods:
Khorshidi & Peterson, "Amp: A modular approach to machine learning in atomistic simulations", *Computer Physics Communications* 207:310-324, 2016. |amp_paper|
.. |amp_paper| raw:: html
<a href="http://dx.doi.org/10.1016/j.cpc.2016.05.010" target="_blank">[doi:10.1016/j.cpc.2016.05.010] </a>
If you use Amp for saddle-point searches or nudged elastic bands, please also cite:
Peterson, "Acceleration of saddle-point searches with machine learning", *Journal of Chemical Physics*, 145:074106, 2016. |mlneb_paper|
.. |mlneb_paper| raw:: html
<a href="http://dx.doi.org/10.1063/1.4960708" target="_blank">[DOI:10.1063/1.4960708] </a>
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