Enhancing machine-learning interatomic potentials for advanced materials modeling

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...
C&EN

Data Science and Modeling for Green Chemistry

The Data Science and Modeling for Green Chemistry award aims to recognize the research and development of computational tools that guide the design of sustainable chemical processes and the execution ...
Morning Overview on MSN

AlphaFold rewired science, and 5 years later it’s still evolving

AlphaFold arrived as a technical moonshot that suddenly made protein structures feel like software rather than secrets of ...
Department of Computer Science - University of Texas at Austin

Adaptive Anatomy: 3D Models That Fit Every Form

Researchers at The University of Texas at Austin recently received support from the National Science Foundation (NSF) to ...
National Academies

DOE Should Develop AI-Based Foundation Models Fused with Traditional Computational Methods to Bring Paradigm Shift to Scientific Discovery

Foundation models are AI systems trained on vast amounts of data — often trillions of individual data points — and they are capable of learning new ways of modeling information and performing a range ...
New Atlas

Modeling predicts supercontinent Amasia will form in 300 million years

The new research used 4-D geodynamic modeling to predict tectonic movement over hundreds of millions of years. According to Huang, the results indicate it is most likely the Pacific Ocean will close, ...
Smithsonian Magazine

What Data Scientists Learned by Modeling the Spread of Covid-19

A Covid-19 restrictions sign hangs outside a supermarket in Austin, Texas. Lauren Ancel Meyers at the University of Texas at Austin has shared her team’s modeling results with city officials who make ...