Automatic differentiation approach for property computations in nanoscale thermal transport

DOI10.1016/j.cpc.2020.107138OpenAlexW2999452946WikidataQ126346076 ScholiaQ126346076MaRDI QIDQ6045775

Sanjay R. Mathur, Prabhakar Marepalli, Jayathi Y. Murthy

Publication date: 12 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2020.107138

zbMATH Keywords

sensitivity analysisautomatic differentiationGruneisen parameterforce constantsnanoscale thermal transportproperty computations

Mathematics Subject Classification ID

Numerical analysis (65-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• ShengBTE: a solver of the Boltzmann transport equation for phonons
• Advances in automatic differentiation. Selected papers based on the presentations at the 5th international conference on automatic differentiation, Bonn, Germany, August 11--15, 2008
• Fast parallel algorithms for short-range molecular dynamics
• Evaluating Derivatives
• Process modeling of composites by resin transfer molding: practical applications of sensitivity analysis for isothermal considerations
• Unnamed Item
• Unnamed Item

This page was built for publication: Automatic differentiation approach for property computations in nanoscale thermal transport