I’m Eike. Software engineer, quantum chemist, and great vegan cook!
- Chemistry Data Tech Lead (data engineering) within A-DMTA at AstraZeneca
- Educated as a quantum chemist with a postdoc in machine learning
- On my way to expand my DSA and cryptography knowledge
- Building protocols on EVM blockchains
Posts
Efficiently calculate quantum-chemical features
Tackling chemical reactivity with machine-learning
Why hydrogen bond strengths are jazzy?
Solving real-world problems with kallisto
Benchmarking interaction energies for ion-π systems
How to calculate quantum chemical features efficiently
Review about GFN-xTB methods and their applications
London Dispersion Corrections for Electronic Structure Methods
Non-self-consistent tight-binding? Yes!
How to describe London-dispersion the DFT-D way
DFT-D4 goes periodic - Hello Ewald!
London-dispersion within organometallic systems
Theoretical bits and applications of 3c-methods
How to improve static atomic polarizabilities?
An intermolecular force-field based on generic docking
Verifying the shortest intermolecular H···H contact
A screened exchange hybrid density functional
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