3 papers
cond-mat.mtrl-sci2025
Computational uncertainties in lattice thermal conductivity prediction of crystalline solids
Yagyank Srivastava, Amey G. Gokhale, Ankit Jain
We report computational uncertainties in Boltzmann Transport Equation (BTE)-based lattice thermal conductivity prediction of 50 diverse semiconductors from the use of different BTE…
cond-mat.mes-hall2025
Higher-order thermal transport theory for phonon thermal transport in semiconductors using lattice dynamics calculations and the Boltzmann transport equation
Ankit Jain, Yagyank Srivastava, Amey G. Gokhale +2
The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input…
cond-mat.mtrl-sci2023
End-to-end Material Thermal Conductivity Prediction through Machine Learning
Yagyank Srivastava, Ankit Jain
We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the no…