Researchers solve 100-year-old metallurgy puzzle

To solve a 100-year puzzle in metallurgy about why single crystals show staged hardening while others don't, Lawrence Livermore National Laboratory (LLNL) scientists took it down to the atomistic level.

Researchers study interactions in molecules using AI

Researchers from the University of Luxembourg, Technische Universität Berlin, and the Fritz Haber Institute of the Max Planck Society have combined machine learning and quantum mechanics to predict the dynamics and atomic ...

Scientists first to simulate a large-scale virus, M13

Atomistic simulations are a powerful tool to study the movement and interactions of atoms and molecules. In many biological processes, large-scale effects, for example, assembly of large viruses to nanoparticles are important. ...

Lab team develops capability for atomistic simulations

(PhysOrg.com) -- Conventional scientific wisdom says that the interatomic forces between ions that control high-temperature processes such as melting are insensitive to the heating of the electron "glue" that binds the ions ...

Machine learning aids in simulating dynamics of interacting atoms

A revolutionary machine-learning (ML) approach to simulate the motions of atoms in materials such as aluminum is described in this week's Nature Communications journal. This automated approach to "interatomic potential development" ...

Researchers align atomic friction experiment

Working together to study friction on the atomic scale, researchers at UC Merced and the University of Pennsylvania have conducted the first atomic-scale experiments and simulations of friction at overlapping speeds.

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