Hi there,
I am Florian Knoop, a theoretical physicist working on temperature-dependent materials simulations based on density functional theory at Linköping University 👋
Here are some articles I have (co-)authored:
Publications & preprints
- TDEP: Temperature Dependent Effective Potentials, FK, N. Shulumba, A. Castellano, J. P. A. Batista, R. Farris, M. J. Verstraete, M. Heine, D. Broido, D. S. Kim, J. Klarbring, I. A. Abrikosov, S. I. Simak, and O. Hellman, J. Open Source Softw. 9 6150 (2024)
- Vibrational properties differ between halide and chalcogenide perovskite semiconductors, and it matters for optoelectronic performance, K. Ye, M. Menahem, T. Salzillo, B. Zhao, S. Niu, FK, I. Sadeghi, O. Hellman, J. Ravichandran, R. Jaramillo, and O. Yaffe, Arxiv 2402.18957
- Heat flux for semilocal machine-learning potentials, [M.F. Langer, FK, C. Carbogno, M. Scheffler, and M. Rupp, Phys. Rev. B 108, L100302 (2023)
- Stress and heat flux via automatic differentiation, M.F. Langer, J.T. Frank, and FK, J. Chem. Phys. 159, 174105 (2023)
- Anharmonicity in Thermal Insulators: An Analysis from First Principles, FK, T.A. R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Lett. 130, 236301(2023)
- *Ab initio* Green-Kubo simulations of heat transport in solids: Method and implementation, FK, M. Scheffler, and C. Carbogno, Phys. Rev. B 107, 224304 (2023)
- High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content,
D. Laniel, F. Trybel, B. Winkler, FK, T. Fedotenko, S. Khandarkhaeva, A. Aslandukova, T. Meier, S. Chariton, K. Glazyrin, V. Milman, V. Prakapenka, I. A. Abrikosov, L. Dubrovinsky, and N. Dubrovinskaia, Nat. Commun. 13, 6987 (2022)
- Heat transport in strongly anharmonic solids from first principles, FK, PhD thesis, Humboldt University (2022)
- FHI-vibes: Ab Initio Vibrational Simulations, FK, T.A.R. Purcell, M. Scheffler, and C. Carbogno, J. Open Source Softw. 5 2671(2020)
- Anharmonicity measure for materials, FK, T.A.R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Materials 4, 083809 (2020)
Software I develop or have contributed to
Places to find me on the internet
Upcoming events and places to find me IRL
Recent highlights
Slides
Reach out
Drop me a line here: firstname.lastname [at] liu.se
.
Cheers! ✌️