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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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5 Questions

Score Activity Newest Views
27 votes
3 answers
699 views

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

  • reference-request
  • molecular-modeling
  • quantum-chemistry
  • model-hamiltonians
  • semi-empirical-method
asked Apr 29, 2020 at 14:25
24 votes
1 answer
243 views

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

  • reference-request
  • machine-learning
asked Apr 29, 2020 at 14:51
24 votes
2 answers
417 views

What are the different ways of calculating dispersion constants?

  • density-functional-theory
  • reference-request
  • intermolecular-forces
  • dispersion-correction
  • one-topic-per-answer
asked Apr 29, 2020 at 17:49
18 votes
1 answer
337 views

What is the state of the art in terms of local atomic environment descriptors for machine learning?

  • reference-request
  • machine-learning
asked Apr 29, 2020 at 13:30
12 votes
1 answer
210 views

What are the methods for calculating solvation effects in free energies and how do they compare?

  • gibbs-free-energy
  • thermodynamics
  • entropy
  • solvation
asked May 13, 2020 at 1:21
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