CCL: DFT Popularity Poll 2024

As a new specialist in computational quantum chemistry, It was so exciting to read all in this conversation about poll and all reports are important. On my view, we don’t have the priorities to like or polling a functional then other function cause all are approximations and the same functional is good for a system and not good for other. We must try each other till we find a convergence.
Something for fun, it’s a philosophy and when we have 2 approximations that not means one is true and second is false. A little far, Humans hands and visions perhaps need more discover…

Dr Majouri Abdelkader
---------------------
P.h D student at ENSIT
University of Tunis, 92, Avenue 9 avril 1938, Tunis - 1 007
Laboratory of Nanomaterials Nanotechnology and Energy, Faculty of Sciences of Tunis University of Tunis, El Manar, 2092 Tunis
National Higher School of Engineers of Tunis
[+216] 56 04 05 38


On Mon, Jun 10, 2024 at 00:06 Marcel Swart marcel.swart-*-gmail.com <owner-chemistry---ccl.net> wrote:
As a wise man once said:
“The DFT popularity poll is somewhat like citation analysis: It measures (but in a different way) how well a functional has been received by a set of readers and users.  There are many reasons why some functionals are received better than others: accuracy, reliability, wide applicability, computational efficiency, well-founded construction, availability in standard codes, reputation of the functional and its authors, historical priority, novelty, and even hype.  The poll has to be seen as measuring all these things, and perhaps more. To the extent that the polled scientists use rational criteria, the results of the poll can point other scientists toward good or interesting functionals”.
(https://blogs.nature.com/thescepticalchymist/2014/11/five-years-of-polling-the-computational-chemistry-community.html)

And a comment from this year:
"Few new ones in there for me to go explore. Thanks."

MS

On 8 Jun 2024, at 20:40, Robert Molt r.molt.chemical.physics- -gmail.com <owner-chemistry*o*ccl.net> wrote:

I encourage the CCL community to resist the siren song of this poll. The entire point of science is that we have to give evidence to support a claim. A popularity poll yields no legitimate scientific information. If a paper came to me and justified its choice in KS-DFT functional based on popularity, I would reject it and tell the authors to read a review paper.

If only one person presents evidence against a thesis, all that matters is that the evidence is reproducible and logical. The number of individuals is claiming it is irrelevant.

On 6/8/24 5:36 AM, Marcel Swart marcel.swart===gmail.com wrote:
The annual DFT Popularity Poll is open again (until October 1, 2024):


For more information:
https://www.marcelswart.eu/dft-poll/index.html

Marcel Swart
ICREA Professor
www.marcelswart.eu
marcel.swart:-:icrea.cat

Disclaimer:
I completely understand if you don't have time to work on this until normal business hours. I won't be expecting an immediate response.

--
 Dr. Robert Molt Jr.
 r.molt.chemical.physics,gmail.com


Marcel Swart
ICREA Professor
www.marcelswart.eu
marcel.swart*o*icrea.cat


Disclaimer:
I completely understand if you don't have time to work on this until normal business hours. I won't be expecting an immediate response.