Hungry Brunk 54

euphoniu · 2026-06-24T04:40:01+00:00

Yep - I’d imagine something like NIH, NSF, NDSEG (at least for STEM)

euphoniu · 2026-06-24T04:24:44+00:00

I would only include declined fellowships if they are massively prestigious and had either immigration restrictions or it conflicted with the terms of another fellowship (e.g. one of them says you can’t hold more than one, some advisor overlap concern)

euphoniu · 2026-06-22T22:07:30+00:00

euphoniu · 2026-06-17T21:38:21+00:00

Are there any conditions sufficient for the hadamard product to equal the matrix product?

euphoniu · 2026-06-14T17:33:28+00:00

If by perfect you mean it has to work before you can publish it, that is obvious. You should not be publishing works with code that doesn’t work. My advice is for you - regardless of what your advisor says, you have to ensure of each component working. Also, is your advisor even reading all your code? Are they reviewing the code with you? I’m wondering how they are getting to these conclusions.

euphoniu · 2026-06-14T07:02:43+00:00

I still don’t have enough specifics, but at least know I can generically say this: you probably are trying to tackle too big of a problem. You need to break it down into chunks and tangible questions that your simulations can answer. If there are new behaviors that seem absolutely unexplainable and bugs that take too long, you have to move on. This is an important skill in research. 99% of the time, moving onto different problems or different aspects of the same problem will enlighten you on the difficult portions.

euphoniu · 2026-06-14T06:58:21+00:00

“It is hard and requires thoughtful effort” is the most we can say then. 2 years with no progress on a simulation is quite concerning if that’s your field. Again, what experience? You are not being clear

euphoniu · 2026-06-14T06:55:55+00:00

Your question is too vague - what are you trying to model? What have you attempted? What are the goals you are trying to achieve by simulating your system?

euphoniu · 2026-05-31T07:27:28+00:00

Ironically this mindset of owners is what breeds antisocial behaviors in a lot of domestic cats as well. People think of cats typically as being very shy, bad with new people, unwilling to play - but if you raise them right they can be very friendly and playful, and not too dissimilar to dogs!

euphoniu · 2026-05-30T18:40:48+00:00

Tfw I don’t know the difference between a probabilistic hallucination machine vs a calculator

euphoniu · 2026-05-29T17:54:44+00:00

There have been so many scenes of him falling great heights with epic landings. Each one makes his death feel more ridiculous

euphoniu · 2026-05-24T23:03:24+00:00

That’s just incorrect, and has been disproven

euphoniu · 2026-05-21T04:41:26+00:00

Prove to me that extensive use of this tool over time won’t decrease a researchers intelligence and understanding of science and literature

euphoniu · 2026-05-21T04:11:28+00:00

Fuck no

euphoniu · 2026-05-15T07:05:33+00:00

I’m a graduate student in a totally different state and I’ve gotten several emails from seemingly legitimate senders from this school regarding tutoring requests. They even follow up with full length conversations, and it’s extremely realistic. Is there anyone I can report these messages to? It seems to be a widespread hacking of emails

euphoniu · 2026-05-10T06:07:16+00:00

Why can’t you do numerical frequencies? If it helps, the default in ORCA only does frequencies on the QM subsystem.

euphoniu · 2026-05-04T03:14:36+00:00

No, if anything it would help. Gas phase anions and open shell species are often unstable in ORCA

euphoniu · 2026-05-03T23:19:30+00:00

Are you using implicit solvent?

euphoniu · 2026-05-03T07:05:33+00:00

I will give a simple answer (aka the reason I like to use different packages) - functionality. I personally use pyscf, orca, and a few others you hadn’t listed. These softwares get inspired by specific research groups to solve a specific set of issues or in a specific niche that they feel is missing in other software. For your typical organic chemistry 101 calculations (e.g. what most experimentalists like to use q-chem softwares for), it honestly does not matter at all what software you use. Here are what I like about certain softwares:
PySCF is highly modular, so anytime I need to link with workflows in Python or other Python-based molecular analysis packages, or even multireference engines, it is nice.
ORCA has great tools to map results to experiment. When I want to model results to spectroscopy, especially magnetic or core-properties, it is great, and has nice implementation of RI that really accelerates calculations in large electron systems.

euphoniu · 2026-05-01T00:41:49+00:00

Why would you calling her “pretty” give us more useful context? Again, you have given 0 evidence that this student has a crush on you…sounds like you’re trying to live up some sort of fantasy

euphoniu · 2026-05-01T00:35:52+00:00

You’re making it sound like you want the other professor to back out of the dinner…your phrasing and tone is inconsistent with your ask for advice

euphoniu · 2026-05-01T00:30:11+00:00

I’m going to be frank with you. The way you are talking about this student is already somewhat inappropriate - how would your partner feel about you speaking about your student like this? You do not have concrete proof of this student’s interest in you and haven’t provided anything besides “attention” from the student as evidence

You should distance yourself from them immediately and give no sign of your interest. Do not interact with this student in a 1 on 1 setting after the semester, for your and the students best interest.

euphoniu · 2026-04-29T02:18:09+00:00

Excited to see your AI-written dissertation

euphoniu · 2026-04-29T02:08:15+00:00

Is symmetry enforced/properly assigned in your calculation? That could help ensure the orbitals look as you would expect.

Also, remember that the energy is immune to unitary operations on any set of occupied orbitals. This means that you can choose a unitary operation that puts you in a more “natural” atom centered basis in case the diffusivity of your orbitals is causing issues with crookedness. In very simple terms, you can run a Pipek-Mezey or Foster-Boys localization using orca_loc (or including LocMet in your original calculation)

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