Name: Florian Knoop
Type: User
Company: LiU
Bio: Hi 👋, I am a Physicist working on ab initio methods for materials simulations at finite temperature. Call me for phonons, heat transport, or Raman spectroscopy
Twitter: flokno_phys
Location: Linköping, Sweden
Blog: flokno.me
Florian Knoop's Projects
Open-source library for analyzing the results produced by ABINIT
BerkeleyGW examples
Add or enhance bash, fish, zsh and powershell completion in Click
Conda environment recipes
Dash repo of user contributed docsets
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
Hello!
Differentiable, Hardware Accelerated, Molecular Dynamics
augmented python configparser
Resources to support the use of mapped averaging with other molecular simulation packages
Build neural networks for machine learning force fields with JAX
some notes
The documentation site for TDEP.
Summary of the seminal papers from Lars Onsager in 1931
📚 Parameterize, execute, and analyze notebooks
A simulation package of phonon-phonon interaction related properties
Visualise lattice vibrations
Phonon code
A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
Easy to use progress bars for Python
Stuff learned about/with python
sequential object notation
The Temperature Dependent Effective Potentials (TDEP) code
TDEP Tutorials
Informations
Small Tutorial to find TERS image of C6H6
Python lib for TOML