9 citations · 14 across the 6 of their papers we have counts for
6 papers
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…
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…
Accelerating Phonon Thermal Conductivity Prediction by an Order of Magnitude Through Machine Learning-Assisted Extraction of Anharmonic Force Constants
Yagyank Srivastava, Ankit Jain
The calculation of material phonon thermal conductivity from density functional theory calculations requires computationally expensive evaluation of anharmonic interatomic force co…
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…
High-throughput computational discovery of 40 ultralow thermal conductivity and 20 highly anisotropic crystalline materials
Ankit Jain, Harish P Veeravenkata, Shravan Godse +1
We performed ab-initio driven density functional theory-based high throughput computations to search for materials with low thermal conductivity and high thermal transport anisotro…
Anharmonic lattice dynamics and thermal transport in type-I inorganic clathrates
Shravan Godse, Yagyank Srivastava, Ankit Jain
The anharmonic phonon properties of type-I filled inorganic clathrates Ba8 Ga16 Ge30 and Sr8 Ga16 Ge30 are obtained from the first-principles calculations by considering the temper…