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aenet (ænet, The Atomic Energy Network)

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aenet is software for atomic interaction potentials using artificial neural networks. Users can construct neural network potentials using structures of target materials and their energies obtained from first principle calculations. The generated potentials can be used to molecular dynamics or Monte Carlo simulations.

Information
Last Update:2021/03/05

Official site

http://ann.atomistic.net

License

Mozilla Public License
Availability Linux and Unix clusters Required:
  1. BLAS (Basic Linear Algebra Subprograms),
  2. LAPACK (Linear Algebra PACKage),
  3. L-BFGS-B optimization routines by Nocedal et al.
Core Developers Dr. Nongnuch Artrith (Columbia University and Brookhaven National Laboratory, USA) Dr. Alexander Urban (Columbia University, USA) http://ann.atomistic.net/contributors/
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