# almaBTE: a solver of the space-time dependent Boltzmann transport equation for phonons in structured materials

## TL;DR

almaBTE is a first-principles software tool that solves the space- and time-dependent Boltzmann transport equation for phonons, enabling detailed thermal analysis in various structured materials.

## Contribution

It introduces a novel, ab-initio based solver for phonon transport in complex materials and structures, capable of predicting thermal properties with high spatial and temporal resolution.

## Key findings

- Accurately predicts thermal conductivities in diverse structures
- Provides detailed temperature and heat-current profiles
- Demonstrates applicability to novel materials

## Abstract

almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm-$\mu$m range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses.