ShengBTE: A solver of the Boltzmann transport equation for phonons. - Wu Li; Jesús Carrete; Nebil A. Katcho; Natalio Mingo (Comput. Phys. Commun., 2014)

almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials. - Jesús Carrete; Bjorn Vermeersch; Ankita Katre; Ambroise van Roekeghem; Tao Wang; Georg K. H. Madsen; Natalio Mingo (Comput. Phys. Commun., 2017)

BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients. - Georg K. H. Madsen; Jesús Carrete; Matthieu J. Verstraete (Comput. Phys. Commun., 2018)

Vibrational Properties of Metastable Polymorph Structures by Machine Learning. - Fleur Legrain; Ambroise van Roekeghem; Stefano Curtarolo; Jesús Carrete; Georg K. H. Madsen; Natalio Mingo (J. Chem. Inf. Model., 2018)

Quantum Self-Consistent Ab-Initio Lattice Dynamics. - Ambroise van Roekeghem; Jesús Carrete; Natalio Mingo (Comput. Phys. Commun., 2021)

BTE-Barna: An extension of almaBTE for thermal simulation of devices based on 2D materials. - Martí Raya-Moreno; Xavier Cartoixà; Jesús Carrete (Comput. Phys. Commun., 2022)

A Differentiable Neural-Network Force Field for Ionic Liquids. - Hadrián Montes-Campos; Jesús Carrete; Sebastian Bichelmaier; Luis M. Varela; Georg K. H. Madsen (J. Chem. Inf. Model., 2022)

Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches. - Ralf Wanzenböck; Florian Buchner; Péter Kovács; Georg K. H. Madsen; Jesús Carrete (Comput. Phys. Commun., 2024)