flokno.github.io
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
- Heat flux for semilocal machine-learning potentials
Marcel F. Langer, FK, Christian Carbogno, Matthias Scheffler, and Matthias Rupp, Phys. Rev. B 108, L100302 (2023)
- Stress and heat flux via automatic differentiation
Marcel F. Langer, J. Thorben Frank, FK, J. Chem. Phys. 159, 174105 (2023)
- Anharmonicity in Thermal Insulators: An Analysis from First Principles
FK, Thomas A. R. Purcell, Matthias Scheffler, and Christian Carbogno, Phys. Rev. Lett. 130, 236301(2023)
- Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation
FK, Matthias Scheffler, and Christian Carbogno, Phys. Rev. B 107, 224304 (2023)
- High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content
Dominique Laniel, Florian Trybel, Bjoern Winkler, FK, et al., Nat. Commun. 13, 6987 (2022)
- Heat transport in strongly anharmonic solids from first principles
FK, PhD thesis, Humboldt University (2022)
- Anharmonicity measure for materials
FK, Thomas A. R. Purcell, Matthias Scheffler, and Christian Carbogno, Phys. Rev. Materials 4, 083809 (2020)
- FHI-vibes: Ab Initio Vibrational Simulations
FK, Thomas A. R. Purcell, Matthias Scheffler, and Christian Carbogno, J. Open Source Softw. 5 2671(2020)
Software I develop or have contributed to
Places to find me on the internet
Upcoming talks and places to find me IRL
- DPG March Meeting 2024 in Berlin
Recent highlights
Reach out
Drop me a line here: florian.knoop [at] liu.se.
Cheers! ✌️