Tag

Material Modeling

All articles tagged with #material modeling

technology2 years ago•5 min saved

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.

via SciTechDaily|

#electronic-structure #high-performance-computing #machine-learning

science-and-technology2 years ago•4 min saved

Advancements in Machine Learning Revolutionize Material Modeling and Biology Research

Researchers from the Center for Advanced Systems Understanding (CASUS) and Sandia National Laboratories have developed a machine learning-based simulation method called Materials Learning Algorithms (MALA) that surpasses traditional electronic structure simulation techniques. MALA integrates machine learning with physics-based approaches to accurately predict the electronic structure of materials, enabling access to previously unattainable length scales. The software stack achieved a speedup of over 1,000 times for smaller system sizes and accurately performed electronic structure calculations involving more than 100,000 atoms. This breakthrough opens up computational possibilities for addressing societal challenges and advancing applied research in areas such as drug design, energy storage, and semiconductor devices.

via Phys.org|

#electronic-structure #machine-learning #material-modeling