Related Publications

Selected recent publications are listed below (a full list can be found on Google Scholar:

[1] T. A. R. Purcell, M. Scheffler, L. M. Ghiringhelli, and C. Carbogno,
Accelerating Materials-Space Exploration for Thermal Insulators by Mapping Materials Properties via Artificial Intelligence,
Npj Comput. Mater. 9, 112 (2023).
https://www.nature.com/articles/s41524-023-01063-y

[2] F. Knoop, T. A. R. Purcell, M. Scheffler, and C. Carbogno, 
Anharmonicity in Thermal Insulators: An Analysis from First Principles,
Phys. Rev. Lett. 130, 236301 (2023).
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.130.236301

[3] F. Knoop, T. A. R. Purcell, M. Scheffler, and C. Carbogno,
Anharmonicity Measure for Materials,
Phys. Rev. Mater. 4, 083809 (2020). 
https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.4.083809

[4] M. Zacharias, M. Scheffler, and C. Carbogno,
Fully Anharmonic Nonperturbative Theory of Vibronically Renormalized Electronic Band Structures,
Phys. Rev. B 102, 045126 (2020).
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.045126

[5] C. Carbogno, R. Ramprasad, and M. Scheffler,
Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids,
Phys Rev Lett 118, 175901 (2017).
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.118.175901