4 datasets found

<p>Parameter-free calculations of lattice dynamics from first principles have achieved significant progress in the past decades, with a wealth of applications in...

Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present an efficient and...

<p><span lang="EN-US">Thermal transport in low-dimensional materials is of great fundamental and applied interest due to their unusual and widely tunable properties,...

The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and...