Matter Modeling
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Susi Lehtola
  • Member for 2 years, 3 months
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PhD in theoretical physics

Adjunct professor in computational chemistry

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All Questions Answers
Score Newest
answer
21
Materials Modeling with Raspberry Pi?
May 30, 2020
answer
19
Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
Jun 20, 2020
answer
18
What are the pitfalls for new users of DFT?
Jul 18, 2020
answer
18
How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
May 28, 2020
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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, 2020
answer
16
What are the positives and negatives of periodic DFT codes that don't use plane-wave basis sets?
May 17, 2020
answer
16
References for Molecular Dynamics?
Jul 26, 2020
answer
16
Which Linux distribution is best for Matter Modeling?
Jun 9, 2020
answer
16
How to explain to a five year old why "DFT with local exchange–correlation functionals do(es) not describe van der Waals interactions accurately"?
Mar 28
answer
15
Orbitals in full CI and DFT with true functional
Jul 8, 2020
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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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