Matter Modeling
Susi Lehtola
  • Member for 1 year, 8 months
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PhD in theoretical physics

Adjunct professor in computational chemistry

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21
Materials Modeling with Raspberry Pi?
May 30 '20
19
Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
Jun 20 '20
17
Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good?
May 28 '20
17
What are the pitfalls for new users of DFT?
Jul 18 '20
17
How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
May 28 '20
16
References for Molecular Dynamics?
Jul 26 '20
16
Which Linux distribution is best for Matter Modeling?
Jun 9 '20
15
On the nature of zero-point energy (ZPE)
Nov 1 '20
15
Orbitals in full CI and DFT with true functional
Jul 8 '20
15
What's the best quantum chemistry output parser for the command line?
Aug 7 '21
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Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
6
Hellmann-Feynman Forces with Hartree-Fock

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