As noted in Wikipedia, skin in the game refers to having 'incurred risk by being involved in
achieving a goal', where 'skin is a synecdoche for the person involved, and game is the …

We present a new interatomic potential for solids and liquids called Spectral Neighbor
Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine …

The concept of high entropy materials (HEMs) provides a fertile ground for developing novel
irradiation-resistant structural materials. In HEMs, the vast and complicated configurational …

The Spectral Neighbor Analysis Potential (SNAP) is a classical interatomic potential that
expresses the energy of each atom as a linear function of selected bispectrum components …

Theoretical studies on the MgCl2–KCl eutectic heavily rely on ab initio calculations based
on density functional theory (DFT). However, neither large-scale nor long-time calculations …

High entropy diborides are new categories of ultra-high temperature ceramics, which are
believed promising candidates for applications in hypersonic vehicles. However, knowledge …

Billion atom molecular dynamics (MD) using quantum-accurate machine-learning Spectral
Neighbor Analysis Potential (SNAP) observed long-sought high pressure BC8 phase of …

In this work, the local structure and transport properties of three typical alkali chlorides (LiCl,
NaCl, and KCl) were investigated by our newly trained deep potentials (DPs). We extracted …

NaCl–MgCl2–CaCl2 eutectic ternary chloride salts are potential heat transfer and storage
materials for high-temperature thermal energy storage. In this study, first-principles …

Lattice structures, defect structures, and deformation mechanisms of high-entropy alloys
(HEAs) have been studied using atomistic simulations to explain their remarkable …