Revolutionizing Material Modeling and Biology Research with Automated Machine Learning

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.