The interatomic potential describes the interaction between a pair of atoms or the interaction of an atom with a group of atoms in a condensed phase. The potential must have both an attractive and a ...

Everyone knows that diamonds are the hardest material in the world, but that might change someday. The world's most powerful supercomputer has predicted that an even tougher material could exist. This ...

The atomic force microscope is a scanning probe system that measures the interatomic force between the tip of a silicon cantilever and the sample being studied. The Digital Instruments multimode ...

Researchers at Los Alamos National Laboratory have led a team in developing machine-learning interatomic potentials that ...

applying machine learning methods to improve and accelerate modeling and simulation methods (e.g. interatomic potentials, image processing, etc.). Stephen Lam is an Assistant Professor of Chemical ...

A generic model suggests that electron transfer occurs due to a strong electron cloud overlap between two atoms, resulting from a lowered interatomic potential barrier caused by shortening the bonding ...

In recent years, the rapid development of artificial intelligence has introduced new possibilities across numerous scientific ...

Validated DFT and AIMD will then be used to build a robust neural network interatomic potential to simulate the LiF-BeF2 system. Commonly used potential, such as the polarizable ion model, fails when ...