Cody Aldaz

general recent conversations

The Periodic Table

Haikus are awesome / Chemistry's even better / So pull up a chair

Cody Aldaz

Dec 1, 2021 04:08

The Kröhnke_pyridine_synthesis?

Cody Aldaz

Dec 1, 2021 04:06

^ What reaction is that?

Cody Aldaz

Dec 1, 2021 04:06

Ask a Moderator

For any questions you might have for the Mat Mod Mods (Matter ...

Cody Aldaz

Sep 13, 2021 05:34

@Tyberius I think we discussed before whether google searches work better if the titles of SE posts match. But I can’t remember the conclusion

Cody Aldaz

Sep 13, 2021 05:33

Should the title of this question be more specific? mattermodeling.stackexchange.com/q/6713/52

Cody Aldaz

Sep 4, 2021 03:38

great figured it out :D

Cody Aldaz

Sep 4, 2021 03:36

I always for get how to link to a tag

Cody Aldaz

Jun 2, 2021 21:55

@Tyberius I don't like that we have so many chatrooms . . .

Cody Aldaz

Apr 13, 2021 09:15

what is a shopping question? mattermodeling.stackexchange.com/q/4702/52

Cody Aldaz

Apr 1, 2021 08:32

I can make a meta post about this, since it probably deserves more discussion than a chat post

Cody Aldaz

Apr 1, 2021 07:03

@Tyberius @NikeDattani I don't think there should be so many chat rooms. Having a chat room for all the different topics sounds nice but not that many people use chat so these rooms often become frozen. Also typically people can help even if they don't associate with a certain chatroom (e.g. Q-Chem vs Gaussian) so splitting it will also split the small amount of people who do use chat even further.

Cody Aldaz

Mar 27, 2021 00:43

uhh, I guess the mods don't answer questions here

Cody Aldaz

Mar 26, 2021 07:20

I think not

What's going on elsewhere?

Cody Aldaz

Sep 11, 2021 00:41

@Tyberius or we could subtly suggest to them to ask post the question on MMSE. I do this on Chem.SE sometimes if I feel it would be better served here. I always feel awkward doing that but it tends to have good results.

Cody Aldaz

Aug 19, 2021 21:22

Shown is how to draw a contour of a kiwi bird, and a Gaussian propagating in a potential well having a base area spanned by the contour of the kiwi bird, i.e., a quantum kiwi billiard Quantum Kiwi Bird

Cody Aldaz

Mar 26, 2021 10:02

I don’t use SO very much but in my opinion Stack overflow is overflowed with too many posts now a days to be really toxic. The smaller stack exchanges can still be toxic tho, I’m happy to say MMSE is friendly tho :)

Cody Aldaz

Mar 26, 2021 10:00

YouTubes says stack overflow is toxic youtu.be/I_ZK0t9-llo

Discussion on question by Glxblt76: H…

Imported from a comment discussion on chemistry.stackexchange....

Cody Aldaz

Sep 7, 2021 21:53

Reminds me of a recent YouTube video the paper they link is called Quantum physics needs complex numbers there is also this paper that I found Why are complex numbers needed in quantum mechanics? Some answers for the introductory level

Modeling Matters!

Matters related to modeling matter, because modeling matters!

Cody Aldaz

Aug 31, 2021 20:34

There is a lot of overlap between the sites. I say yes because calculating distributions are very important in matter modeling. However, a better question to ask on this site is "how" to calculate something, rather than asking about some theoretical detail (which could be asked on physics SE.)

Cody Aldaz

Aug 31, 2021 20:30

@MoreAnonymous yes

Cody Aldaz

Jun 18, 2021 17:33

Some interesting questions asked yesterday.

Cody Aldaz

Apr 16, 2021 02:22

Glad you joined MMSE @ShoubhikRMaiti :)

Milestones

mattermodeling.stackexchange.com

Cody Aldaz

Aug 25, 2021 19:27

congrats Susi!

Cody Aldaz

Aug 23, 2021 20:28

50 answers finally

Cody Aldaz

Aug 23, 2021 20:28

Cody Aldaz

Jul 29, 2021 14:30

@NikeDattani not me but I have starred it now, and that is generally good advice that I didn’t know.

Cody Aldaz

Jul 28, 2021 20:55

Nice 3000 members. Daily users is pretty good too!

Cody Aldaz

Jun 30, 2021 01:16

woo! Congratulations

Cody Aldaz

Apr 27, 2021 04:14

very nice @NikeDattani, almost at 2.5 k users too

Q-Chem

For discussion about the Q-Chem software.

Cody Aldaz

Jun 11, 2021 05:22

@Tyberius They look awesome!

Cody Aldaz

May 14, 2021 19:50

@NikeDattani I did not. Interesting...

Spectroscopy & Potentiology

For discussions about spectroscopy and potential energy surfaces

Cody Aldaz

Apr 13, 2021 14:32

right... to convert cartesian hessian to internal coordinate hessian is in the same package, tho.

Cody Aldaz

Apr 13, 2021 14:32

see my answer here, chemistry.stackexchange.com/a/134595/26815

The mathematics and science behind Ma…

mattermodeling.stackexchange.com

Cody Aldaz

Apr 13, 2021 11:02

Excited electronic states will also be composed of a bunch of excited-determinants not just one, even tho sometimes we often like to simplify it and say something like “this excited-state” looks like “pi->pi*” because it is 90% that configuration.

Cody Aldaz

Apr 13, 2021 11:02

In bond breaking situations or conical intersections the ground-state becomes highly mixed with excited-determinants like pi-pi* excitation, sigma-sigma* exitations, etc. But it’s still the ground-state, likewise the excited-state would become mixed with the ground-state but it’s still the excited-state.

Cody Aldaz

Apr 13, 2021 11:02

In certain limits this is okay but it depends on the system and chemistry you are looking at.

Cody Aldaz

Apr 13, 2021 11:02

right, don’t confuse wavefunctions with determinants. They are related but not equivalent. You cant point to any one determinant and say that is the “ground-state” or that is an excited-state, because formally that is wrong.

Cody Aldaz

Apr 13, 2021 09:19

here.

Protein folding, Docking, and Biomatt…

For discussion about biologically focused matter modeling

Cody Aldaz

Mar 29, 2021 04:59

ASE

For discussion about the ASE (Atomic Simulation Environment) p...

Cody Aldaz

Mar 28, 2021 06:51

What did sort a supercell mean? mattermodeling.stackexchange.com/q/4477/52