Neural Phase Simulation
The Neural Phase Simulation (NPS) is a package of codes for simulating microstructure evolution and accelerated molecular dynamics with deep neural-networks based surrogate models. NPS is designed to offer quantitatively accurate and computationally efficient simulation capabilities by leveraging modern machine-learning techniques. The primary intended use cases of NPS are training neural network surrogate models, though performing simulations on a single node is also supported. The NPS surrogate models can be trained from ground truth simulation methods, which are supposed to be accurate but expensive, such as molecular dynamics, phase field methods, kinetic Monte Carlo and discrete dislocation dynamics.
- Short Name / Acronym:
- NPS
- Site Accession Number:
- LLNL-CODE- 842508
- Software Type:
- Scientific
- License(s):
- MIT License
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)Primary Award/Contract Number:AC52-07NA27344
- DOE Contract Number:
- AC52-07NA27344
- Code ID:
- 97294
- OSTI ID:
- code-97294
- Country of Origin:
- United States
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