463 citations · 896 across the 6 of their papers we have counts for
6 papers
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
Zheyong Fan, Yanzhou Wang, Penghua Ying +17
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2…
Substrate-Dependence of Monolayer MoS Thermal Conductivity and Thermal Boundary Conductance
Alexander J. Gabourie, Cagil Koroglu, Eric Pop
The thermal properties of two-dimensional (2D) materials, like MoS, are known to be affected by interactions with their environment, but this has primarily been studied only wi…
Spectral Decomposition of Thermal Conductivity: Comparing Velocity Decomposition Methods in Homogeneous Molecular Dynamics Simulations
Alexander J. Gabourie, Zheyong Fan, Tapio Ala-Nissila +1
The design of new applications, especially those based on heterogeneous integration, must rely on detailed knowledge of material properties, such as thermal conductivity (TC). To t…
Reduced Thermal Conductivity of Supported and Encased Monolayer and Bilayer MoS
Alexander J. Gabourie, Saurabh V. Suryavanshi, Amir Barati Farimani +1
Electrical and thermal properties of atomically thin two-dimensional (2D) materials are affected by their environment, e.g. through remote phonon scattering or dielectric screening…
Thermal Boundary Conductance of Two-Dimensional Interfaces
Saurabh V. Suryavanshi, Alexander J. Gabourie, Amir Barati Farimani +1
Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simula…
Energy Dissipation in Monolayer MoS Electronics
Eilam Yalon, Connor J. McClellan, Kirby K. H. Smithe +9
The advancement of nanoscale electronics has been limited by energy dissipation challenges for over a decade. Such limitations could be particularly severe for two-dimensional (2D)…