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

, , , , , , and . Comput. Phys. Commun., (2017)

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Quantum Self-Consistent Ab-Initio Lattice Dynamics., , and . Comput. Phys. Commun., (2021)A Differentiable Neural-Network Force Field for Ionic Liquids., , , , and . J. Chem. Inf. Model., 62 (1): 88-101 (2022)Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches., , , , and . Comput. Phys. Commun., (2024)almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials., , , , , , and . Comput. Phys. Commun., (2017)BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients., , and . Comput. Phys. Commun., (2018)ShengBTE: A solver of the Boltzmann transport equation for phonons., , , and . Comput. Phys. Commun., 185 (6): 1747-1758 (2014)BTE-Barna: An extension of almaBTE for thermal simulation of devices based on 2D materials., , and . Comput. Phys. Commun., (2022)Vibrational Properties of Metastable Polymorph Structures by Machine Learning., , , , , and . J. Chem. Inf. Model., 58 (12): 2460-2466 (2018)Thermal Conductivity of Ionic Liquids: A Pseudolattice Approach, , , , , , and . The Journal of Physical Chemistry C, 116 (1): 1265-1273 (2012)