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A common problem encountered on SE sites is that you offer a bounty on a question, but due to the short time limit, don't receive an answer and the points go unrewarded. To counteract this issue, I propose using this page as a longer running Bounty Board.

A post here should include:

  1. A link to an existing question on the site (not necessarily your own question)
  2. The amount of the proposed bounty
  3. A short description of what you are looking for from an answer. In addition, you may include some criteria for deciding between multiple answers.
  4. A link to the Table of Contents, which should in turn include a link to your bounty post.

Once you have awarded the bounty for question, you should update the Table of Contents and your bounty post to reflect that by adding [CLAIMED] to the title.

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8 Answers 8

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Why has traditional solar cell improvement become stagnant?

Bounty:

  • 400 rep (for new users)
  • 200 rep (for existing users)

There is an answer, saying basically that traditional m-J solar cells are already near their optimal efficiency from a consumer-desire point of view, and improving them further is not worth it, especially when taking into account their very high cost, and the emergence of perovskite-based solar cells. I upvoted the answer, but it doesn't seem to come from an authoritative source or expert in the research area of improving m-J photovoltaics, and there is no reference to the science behind why it's not worth it to further pursue to the field.

Furthermore, NREL skipped 5J cells completely and started studying 6J, seemingly much before exhaustively exploring the capabilities of 4J, which doesn't make sense to me, and I'd like to know why this might have been the case. I am curious about the scientific obstacles, more so than the economic atmosphere at play (though I do appreciate both aspects).

Please warn me in advance if you are going to go for this bounty!

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Justification for use of Screened Functionals [CLAIMED]

Bounty: 50 rep

To start the Bounty Board off. I'm looking for some literature that provides intuition on why Screened Density Functionals make physical sense for modeling solids.

Answer

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Basis sets that were optimized to minimize the energy?

Bounty:

  • 100 rep (for new users)
  • 50 rep (for existing user)

I'm seeking an accurate answer, supplemented with some more information about the basis set family (why it created, why it didn't become popular, how it performed in some studies, etc.). Citing a widely unknown basis set family that only appears once in an obscure journal won't get you the bounty, nor will making a basis set family only to answer the question, but if you're a basis set expert and you know that there is indeed no such basis set family that is even remotely popular, and can give a detailed perspective on the issue (or mention any basis sets that almost achieve the goal or are close to it in spirit than Dunning sets for example), I would be delighted to offer the bounty :)

Please warn me in advance if you are going to go for this bounty!

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  • $\begingroup$ It looks like Susi's answer would satisfy these conditions. $\endgroup$
    – Tyberius Mod
    Commented Apr 29, 2021 at 14:43
  • $\begingroup$ I personally optimized some basis sets where the goal was to minimize the overall energy, so I know it's not too hard to do and others must have tried and and found that it failed or something: I was hoping to see some examples or references. I liked Susi's answer enough to give the green checkmark. I didn't get a warning in advance that anyone was going for the bounty, but that doesn't mean I can't award one. At present I'd rather not put 7-days of extra attention on that question when there's other work I want to get done on this site with more urgency. I've given away 1000 in bounties! $\endgroup$
    – Nike Dattani - No Free Time
    Commented Apr 29, 2021 at 19:12
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When did these two fields first meet?

Bounty:

  • 300 rep (for new users)
  • 150 rep (for existing users)

These two very separately originating fields somehow found each other some time likely between 1961 and 1986. If you can help pinpoint which paper or conference first showed evidence of researchers from one of these fields knowing about the other, and provide some context, I would be delighted to offer away some of my reputation.

Please warn me in advance if you are going to go for this bounty!

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Top 15 Unanswered

Bounty: 50 Rep

Provide an informative answer to any of the top 15 (by votes) unanswered questions. A likely not up to date list of the top 15:

  1. Where/when did the fields of Operations Research and Spin Physics or Molecular Dynamics begin to cross-pollinate?
  2. What are the recent developments of TDDFT to simulate the excited properties of materials?
  3. Interpreting electron localization function (ELF) results
  4. How to differentiate similar clusters in the mcsqs output in ATAT?
  5. Why does the Wolff algorithm slow down in a 4-body Ising model?
  6. Applicability of GFN-FF force field and other xTB methods for dynamics of ions in water
  7. Calculating the Chern number on a 2D surface of a 3D insulator
  8. How to build amorphous Al2O3 using the AIMD method implemented in VASP?
  9. Orbital magnetization in periodic solids
  10. A viscoelastic material with nonconvex memory kernel?
  11. How to choose the values of J and spin parameters in a heterogeneous spin system?
  12. Calculating Core-Level Binding Energies (XPS) using DFT
  13. Handling multiple self-consistent solutions with DFT+U
  14. How to plot the electrostatic potential calculated with XTB?
  15. Is it possible to calculate non-resonant Raman coefficient in Quantum ESPRESSO for systems that require smearing to converge?
  • If something is tied for being in the top 15, I will award a bounty for that as well. I have just listed the ones that show up as the top 15 on the linked search page.

Awarded

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Database (or table) of functions obeying symmetry properties of space groups

Bounty:

  • 150 rep (for new users)
  • 100 rep (for existing users)

I find the question interesting, but putting a bounty on it right now will probably be a waste. Either people know of such a database or they don't (and maybe such a database doesn't even exist, meaning that the bounty would be wasted). However if we do get an answer, I can put a bounty on it.

Please warn me in advance if you are going to go for this bounty!

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Why is my CISD restart failing in PySCF?

Bounty:

  • 150 rep (for new users)
  • 100 rep (for existing users)

It's not expected to be an easy question, so I doubt that putting a bounty on it now will lead to anything. If someone does answer the question, I'd be happy to give them a bounty for their efforts on this seemingly very difficult question.

Please warn me in advance if you are going to go for this bounty!

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