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Florian Knoop
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Anharmonicity measure for materials
F Knoop, TAR Purcell, M Scheffler, C Carbogno
Physical Review Materials 4 (8), 083809, 2020
802020
High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content
D Laniel, F Trybel, B Winkler, F Knoop, T Fedotenko, S Khandarkhaeva, ...
Nature Communications 13 (1), 6987, 2022
382022
Anharmonicity in thermal insulators: An analysis from first principles
F Knoop, TAR Purcell, M Scheffler, C Carbogno
Physical Review Letters 130 (23), 236301, 2023
342023
FHI-Vibes: Ab initio vibrational simulations
F Knoop, T Purcell, M Scheffler, C Carbogno
The Journal of Open Source Software 5 (56), 2020
302020
TDEP: Temperature Dependent Effective Potentials
F Knoop, N Shulumba, A Castellano, JP Alvarinhas Batista, R Farris, ...
Journal of Open Source Software 9 (94), 2024
242024
Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation
F Knoop, M Scheffler, C Carbogno
Physical Review B 107 (22), 224304, 2023
212023
Stress and heat flux via automatic differentiation
MF Langer, JT Frank, F Knoop
The Journal of Chemical Physics 159 (17), 2023
132023
Heat flux for semilocal machine-learning potentials
MF Langer, F Knoop, C Carbogno, M Scheffler, M Rupp
Physical Review B 108 (10), L100302, 2023
122023
Differing vibrational properties of halide and chalcogenide perovskite semiconductors and impact on optoelectronic performance
K Ye, M Menahem, T Salzillo, F Knoop, B Zhao, S Niu, O Hellman, ...
Physical Review Materials 8 (8), 085402, 2024
6*2024
Heat transport in strongly anharmonic solids from first principles
F Knoop
PQDT-Global, 2022
52022
Elastic moduli and thermal conductivity of quantum materials at finite temperature
DA Folkner, Z Chen, G Barbalinardo, F Knoop, D Donadio
Journal of Applied Physics 136 (22), 2024
12024
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