In the rapidly evolving landscape of modern manufacturing and engineering, a new technology is emerging as a crucial enabler-Data-Model Fusion (DMF). A recent review paper published in Engineering ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

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 ...

Scientists may now be one step closer to understanding the inner logic of artificial intelligence (AI) models used for genomics thanks to a new tool from a group at Simons Center for Quantitative ...

(a) A feasible route for developing large materials models capable of describing the structure-property relationship of materials. The universal materials model of DeepH accepts an arbitrary material ...

The built environment faces increasing pressures from climate change, resource limitations, and rapid urbanisation.

A research team led by Prof. Li Hai from the Hefei Institutes of Physical Science of the Chinese Academy of Sciences has developed a new computational model that can accurately predict lung motion ...

Electro- and photocatalytic materials are central to enabling sustainable energy conversion processes such as water splitting, CO2 reduction, oxygen ...