While the scientific community holds its breath for a large-scale quantum computer that could carry out useful calculations, a team of IBM researchers has approached the problem with an entirely ...

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the ...

Beauty R&D is shifting toward “materials intelligence,” using AI and atom-level simulation to model ingredient interactions, ...

Neural networks enable precise simulations in material science – down to the level of individual atoms. Credit: Pascal Friederich, KIT Research, development, and production of novel materials depend ...

Argonne scientists used Mira to identify and improve a new mechanism for eliminating friction, which fed into the development of a hybrid material that exhibited superlubricity at the macroscale for ...

New generations of quantum mechanical simulation codes agree better than earlier generations, scientists have demonstrated. Researchers show that new generations of quantum mechanical simulation codes ...

(Nanowerk News) Originally from Paris, France, Ismaila Dabo has family roots in Guinea, a West African nation blessed with abundant sunshine to match the sunny optimism of its people. But despite ...

Researchers were able to rapidly and accurately predict the microstructure of Nickel -- Aluminum (Ni-Al) alloys that are commonly used in the design of jet engine turbine parts. Predictions of the ...

A common scenario involves a production manager who recently spent $3,400 fixing a spindle collision. “Thirty seconds of simulation would’ve caught that,” is a frequent lament. This is a common ...