User schneiderfelipe - Matter Modeling Meta Stack Exchange

schneiderfelipe

Member for 3 years, 7 months
Last seen more than a month ago

schneiderfelipe.github.io
Florianópolis, Santa Catarina, Brazil

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A PhD chemist (computational chemistry) and software developer (Rust, Julia, Python).

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29

Is there a free package with robust CASSCF functionality?

27

Where is the extended Hückel method (EHM) still used today?

24

What are some examples of active learning methods used in atomistic machine learning?

24

What are the different ways of calculating dispersion constants?

19

How to set the maximum priority to a Slurm job?