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Structure of amorphous GeSe9 by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects

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Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations and Lattice Dynamics

(2016) Asegun S. Henry et al.   Journal of Computational and Theoretical Nanoscience

Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study

(2015) Assil Bouzid et al.   JOURNAL OF CHEMICAL PHYSICS

Microscopic theory and quantum simulation of atomic heat transport

(2015) Aris Marcolongo et al.   Nature Physics

Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassyGeTe4

(2015) Assil Bouzid et al.   PHYSICAL REVIEW B

Thermal conductivity from approach-to-equilibrium molecular dynamics

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

Thermal boundary resistance at silicon-silica interfaces by molecular dynamics simulations

(2012) E. Lampin et al.   APPLIED PHYSICS LETTERS

Comparison of molecular dynamics methods and interatomic potentials for calculating the thermal conductivity of silicon

(2012) P. C. Howell   JOURNAL OF CHEMICAL PHYSICS

Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations

(2012) Yuping He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Phonon interference at self-assembled monolayer interfaces: Molecular dynamics simulations

(2010) Lin Hu et al.   PHYSICAL REVIEW B

Size effects in molecular dynamics thermal conductivity predictions

(2010) D. P. Sellan et al.   PHYSICAL REVIEW B

Thermal Conductivity of MgO Periclase from Equilibrium First Principles Molecular Dynamics

(2009) Nico de Koker   PHYSICAL REVIEW LETTERS

Ab Initio Molecular Dynamics Study of Nanoscale Thermal Energy Transport

(2008) Tengfei Luo et al.   JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME

Thermal conductivity and specific heat of bulk amorphous chalcogenides Ge20Te80−xSex (x=0,1,2,8)

(2008) Sheng-Nan Zhang et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Short and intermediate range order in amorphousGeSe2

(2008) Carlo Massobrio et al.   PHYSICAL REVIEW B