Revolutionizing Material Modeling and Biology Research with Automated Machine Learning
TL;DR
The Center for Advanced Systems Understanding and Sandia National Laboratories have developed Materials Learning Algorithms (MALA), a machine learning-based simulation method that outperforms traditional techniques by integrating machine learning with physics algorithms. MALA provides a significant speedup for smaller systems and the ability to accurately simulate large-scale systems of over 100,000 atoms. This innovation has the potential to revolutionize applied research in fields such as drug design and energy storage, and is highly compatible with high-performance computing systems.
Topics:sciencetechnology#electronic-structure#high-performance-computing#machine-learning#material-modeling#simulation#technology
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