Gaussian approximation potential for studying the thermal conductivity of silicene

Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Boltzmann transport approaches

(2019) Marcello Puligheddu et al.   Physical Review Materials

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

(2018) Daniele Dragoni et al.   PHYSICAL REVIEW MATERIALS

Machine Learning a General-Purpose Interatomic Potential for Silicon

(2018) Albert P. Bartók et al.   Physical Review X

Parametrization of Density Functional Tight-Binding Method for Thermal Transport in Bulk and Low-Dimensional Si Systems

(2017) Qi Wang et al.   Journal of Physical Chemistry C

First-principles simulations of heat transport

(2017) Marcello Puligheddu et al.   PHYSICAL REVIEW MATERIALS

Tensile strains give rise to strong size effects for thermal conductivities of silicene, germanene and stanene

(2016) Y. D. Kuang et al.   Nanoscale

Thermal transport in amorphous materials: a review

(2016) Matthew C Wingert et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Phonon transport in the ground state of two-dimensional silicon and germanium

(2016) Yang Han et al.   RSC Advances

Gaussian approximation potentials: A brief tutorial introduction

(2015) Albert P. Bartók et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

(2015) Xiaokun Gu et al.   JOURNAL OF APPLIED PHYSICS

Thermal conductivity and spectral phonon properties of freestanding and supported silicene

(2015) Zuyuan Wang et al.   JOURNAL OF APPLIED PHYSICS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Thermal conductivity of silicene from first-principles

(2014) Han Xie et al.   APPLIED PHYSICS LETTERS

Thermal conductivity of silicene calculated using an optimized Stillinger-Weber potential

(2014) Xiaoliang Zhang et al.   PHYSICAL REVIEW B

Thermal conductivity from approach-to-equilibrium molecular dynamics

(2013) E. Lampin et al.   JOURNAL OF APPLIED PHYSICS

Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111)

(2012) Baojie Feng et al.   NANO LETTERS

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

(2012) Patrick Vogt et al.   PHYSICAL REVIEW LETTERS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Predicting phonon dispersion relations and lifetimes from the spectral energy density

(2010) John A. Thomas et al.   PHYSICAL REVIEW B

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations

(2009) J. E. Turney et al.   PHYSICAL REVIEW B

CUR matrix decompositions for improved data analysis

(2009) Michael W. Mahoney et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA