Publications of Florian Knoop

Knoop, F.; Purcell, T.; Scheffler, M.; Carbogno, C.: Anharmonicity in Thermal Insulators: An Analysis from First Principles. Physical Review Letters 130 (23), 236301 (2023)

Knoop, F.; Scheffler, M.; Carbogno, C.: Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation. Physical Review B 107 (22), 224304 (2023)

Langer, M. F.; Knoop, F.; Carbogno, C.; Scheffler, M.; Rupp, M.: Heat flux for semilocal machine-learning potentials. Physical Review B 108 (10), L100302 (2023)

Knoop, F.; Purcell, T.; Scheffler, M.; Carbogno, C.: Anharmonicity measure for materials. Physical Review Materials 4 (8), 083809 (2020)

Knoop, F.; Purcell, T.; Scheffler, M.; Carbogno, C.: FHI-vibes: Ab Initio Vibrational Simulations. The Journal of Open Source Software 5 (56), 2671 (2020)

Knoop, F.: FHI-Vibes: A Toolkit for Finding and Analyzing Thermal Insulators. FHI-aims Developers' and Users' Meeting, Electronic Structure Theory with Numeric Atom-Centered Basis Functions, Online Event (2020)

Knoop, F.: FHI-Vibes: A Toolkit for Finding and Analyzing Thermal Insulators. ASE Workshop, Chalmers University, Gothenburg, Sweden (2019)

Knoop, F.: Heat transport in strongly anharmonic solids from first principles. Dissertation, Humboldt-Universität zu, Berlin (2022)