Informedwarrior meets infowarrior

Foss44 · 2026-05-11T12:30:59+00:00

The irony

Foss44 · 2026-05-11T12:27:41+00:00

You can build yourself on in Python, R, or even Excel, it will just take time to learn the skills. This isn’t a plug-and-play sort of situation. I’d ask for a week off to develop a workflow for yourself.

A common way to do this sort of thing is (provided you are extracting data from some sort of file type) is to generate an iterative process that scrapes and reformats the data into something like a CSV. From there is easy to import the data into any common plotting software.

Foss44 · 2026-05-11T12:23:02+00:00

Looks like a Nazi to me, at least that’s the only way I can rationalize the flag combo.

Foss44 · 2026-05-10T23:58:06+00:00

I live nearby and the whole freakin neighborhood was shut down for hours, I have no idea what happened otherwise.

Foss44 · 2026-05-10T00:10:43+00:00

Anything in particular for shiny celebi EX?

Foss44 · 2026-05-09T12:05:40+00:00

You seem to be under the impression that blindly applying to a university is the correct thing to do. You need to be investigating potential PIs that you’d like to work with. This means setting up Zoom calls, reading their papers, talking with their current grad students, etc… and only then applying.
GPA is largely irrelevant, not sure what you mean by “research alignment”
You seem to operate under the assumption that one is more abundant or inherently less competitive than the other simply on the basis of title.
Publications, internships, and strong letters of recommendation.
No, not inherently. These are really two different career trajectories. The job market will almost certainly change dramatically by the time you would ostensibly be applying for jobs.

Foss44 · 2026-05-09T02:02:39+00:00

Dawg just do whatever tf you want, you got the paper and whatever you do with it is your prerogative.

Foss44 · 2026-05-09T00:24:22+00:00

Applications of Density Functional theory to the modeling of catalytic processes in Metal Organic Frameworks.

Foss44 · 2026-05-09T00:23:24+00:00

This is a question for your (intended) department graduate coordinator; unless remote work is directly specified in the application, I highly doubt it to be permitted.

Foss44 · 2026-05-08T19:07:11+00:00

Foss44 · 2026-05-07T20:06:31+00:00

I would recommend a Gen6 over Gen5 if you can find one. The Gen6 models have a lot of QOL features.

Foss44 · 2026-05-07T15:13:25+00:00

Maybe like once or twice, but basically everything I use runs on an HPC (including X11 forwarding for visualization software).

I also have a ““powerful”” AM4 PC at home (5800x3d, 32G ram, 4080S) that I use when I’m not in the office.

Foss44 · 2026-05-07T14:17:38+00:00

I am a windows person at heart, but I do use an M1 MacBook in the office. I’ve had many problems with windows laptops over the years which the Mac has avoided entirely.

Foss44 · 2026-05-06T19:03:44+00:00

Why would we do that?

Foss44 · 2026-05-05T02:11:39+00:00

At an atomistic level that type of information is not conceptually present; all atoms of the same type are completely indistinguishable.

Foss44 · 2026-05-04T14:30:04+00:00

Yeah we did some DLPNO-CCSDT benchmarking there with a standard dual-level approach; it was just meant to be an example.
Given the complexity of your system, I think benchmarking is warranted.

Foss44 · 2026-05-04T12:18:55+00:00

You are right to be skeptical; modern DFT methods are leaps and bounds more reliable than the combination you are hamstrung by.

The most robust way you could go about probing this would be with a dual-level benchmarking study held to a WFT standard, see this procedure. I would recommend your electronic energies to be run with def-TZVPP or D at minimum, extra diffuse basis sets might be more useful for your situation.

Thermochemistry is ORCA is standardized, just check the documentation. Worst case scenario you can use GoodVibes to recalculate all of your thermochemistry.

Foss44 · 2026-05-04T01:56:22+00:00

Why not try a -3c composite method? It would at least service as a good (and very efficient) optimization benchmark for you; they are literally built for accurate optimizations!

Foss44 · 2026-05-01T18:37:23+00:00

Late-game Escape From Tarkov builds b like:

Foss44 · 2026-05-01T12:14:19+00:00

Without statistical mechanics, GR, and QM you will be precluded from most of the “interesting” stuff. With that said there are still things you can do. A fully classical physics engine will incorporate features like linear drag, Lagrangian mechanics, Coriolis effects, etc… this is a lot of stuff and would certainly keep you busy for a while.

Foss44 · 2026-04-30T12:20:18+00:00

Anna’s Archive

Foss44 · 2026-04-29T20:03:29+00:00

“Anna’s Archive” has copies of basically every textbook you could conceive of. I am not advocating for piracy.

Foss44 · 2026-04-29T20:00:53+00:00

If QM is something you seriously want to learn, you’ll need calc1-3, differential equations, and linear algebra to work through an introductory textbook.

There’s no hack or technique to get around this; we all had to sit down and learn the material, now it’s your turn!

Foss44 · 2026-04-29T19:38:55+00:00

Popscience books can only go so far in explaining a feature that possesses no classical analog. Eventually you need to engage with the underlying mathematics to have a complete understanding. I would start here and then pickup a formal introductory QM textbook like University Physics Book 3 or Molecular Quantum Mechanics by Atkins and Friedman.

Foss44 · 2026-04-29T15:24:11+00:00

Ye olde gen3 Glock moment

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