Title: Neural: Machine-Learning for Atomistics, v0.1a

Type Software Khorshidi, Alireza, Peterson, Andrew (2014): Neural: Machine-Learning for Atomistics, v0.1a. Zenodo. Software. https://zenodo.org/record/12665

Authors: Khorshidi, Alireza (Brown University) ; Peterson, Andrew (Brown University) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Neural provides machine-learning tools to accelerate and extend atomistic calculations. In version 0.1a, both a Cartesian and a Behler-Parinello implementation of neural network potentials are included.

More information

• DOI: 10.5281/zenodo.12665

Dates

• Publication date: 2014
• Issued: November 12, 2014

Rights

• https://opensource.org/licenses/GPL-3.0 GNU General Public License v3.0 only
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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