Inelastic phonon transport across atomically sharp metal/semiconductor interfaces

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28K citations · Full text

Engineering, Material Simulation, Computational Chemistry +19

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 10.1K citations · Full text

Nanoscale thermal transport

David G. Cahill, W. K. Ford, Kenneth E. Goodson et al. · Journal of Applied Physics · 2003 · 3.1K citations · Full text

Engineering, Small Length Scales, Molecular Dynamics +21

Thermal boundary resistance

Ed Swartz, R. O. Pohl · Reviews of Modern Physics · 1989 · 2.8K citations

Engineering, Acoustic Metamaterial, Thermal Conductivity +20