most citedHigh-Throughput Computational Screening of thermal conductivity, Debye temperature and Grüneisen parameter using a quasi-harmonic Debye Model

312 citations · 314 across the 3 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2023

Theoretical investigation of the lattice thermal conductivities of II-IV-V2 pnictide semiconductors

Victor Posligua, Jose J. Plata, Antonio M. Márquez +2

Ternary pnictides semiconductors with II-IV-V2 stoichiometry hold potential as cost effective thermoelectric materials with suitable electronic transport properties, but their latt…

cond-mat.mtrl-sci20162 cited

Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW - AAPL an automated, accurate and effcient framework

Jose J. Plata, Demet Usanmaz, Pinku Nath +7

One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force cons…

cond-mat.mtrl-sci2016

High Throughput combinatorial method for fast and robust prediction of lattice thermal conductivity

P. Nath, J. J. Plata, D. Usanmaz +4

The lack of computationally inexpensive and accurate ab-initio based methodologies to predict lattice thermal conductivity, without computing the anharmonic force constants or time…

cond-mat.mtrl-sci2014312 cited

High-Throughput Computational Screening of thermal conductivity, Debye temperature and Grüneisen parameter using a quasi-harmonic Debye Model

Cormac Toher, Jose J. Plata, Ohad Levy +4

The quasi-harmonic Debye approximation has been implemented within the AFLOW and Materials Project frameworks for high-throughput computational science (Automatic Gibbs Library, AG…