15 citations · 18 across the 4 of their papers we have counts for
4 papers
Ab initio calculations of the thermoelectric figure of merit, within the relaxation time approximation
Laurent Chaput, Henrique Miranda, Atsushi Togo +4
In this paper, we propose a computational framework, based on the VASP and phono3py computer codes, to obtain the thermoelectric figure of merit from the electron-phonon and phonon…
Interfacial Behavior from the Atomic Blueprint: Machine Learning-Guided Design of Spatially Functionalized a-SiO2 Surfaces
Evgenii Strugovshchikov, Viktor Mandrolko, Dominika Lesnicki +3
a-Quartz surfaces functionalized with hydroxyl and methyl groups provide a versatile platform for controlling interfacial properties critical to applications such as catalysis, pro…
Transfer Learning for Deep Learning-based Prediction of Lattice Thermal Conductivity
L. Klochko, M. d'Aquin, A. Togo +1
Machine learning promises to accelerate the material discovery by enabling high-throughput prediction of desirable macro-properties from atomic-level descriptors or structures. How…
Heat transfer in rough nanofilms and nanowires using Full Band Ab Initio Monte Carlo simulation
B. Davier, J. Larroque, P. Dollfus +4
The Boltzmann transport equation is one of the most relevant framework to study the heat transport at the nanoscale, beyond the diffusive regime and up to the micrometer-scale. In…