Methylzero

Computational chemist, acting sysadmin, hardware enthusiast, programmer. A Swiss army knife of STEM skills.
Just Say No to DRM. Discord is not documentation, it is a threat.

2025-05-17

@DeFrEnTck @hweimer One of the biggest problems with fracking for hydrocarbons, is that it tends to contaminate groundwater and aquifers. I would imagine that would still be true for H2 mining.

2025-05-17

Wow...just wow. I have not been so amazed in quite a while. Soo many deposition, epitaxy, selective etch processes, inside these buried nano-cavities.
#semiconductors #materialscience #chemistry
youtube.com/watch?v=xaKyDrWfHe

Methylzero boosted:
2025-05-14

ORCA 6.1 (FACCTs & MPI Kofo) will bring many exciting new features. In the next weeks, we would like to preview some of them for you today starting with spectroscopy. Stay tuned for more!

New spectroscopy features in ORCA 6.1.

Analytic Raman Intensities
CCSD(T) NMR
CCSD(T) EPR
CCSD X-Ray Absorption
2025-05-12

@never_released Just do what some server cards do and use CPU EPS 8-pins. I dont know the spec off the top of my head, but with the solid pin variant it is a far more capable connector than the PCI 8-pin. 2 or 3 of those connectors could probably do 600 W safely.

2025-05-12

In other news, Valgrind is still lacking support for AVX-512 :(
bugs.kde.org/show_bug.cgi?id=3

2025-05-09

@victor_tokarev I do quantum chemistry as well, so it was a guess for something that might take forever to generate+compile, especially if the MAX_AM is high.

2025-05-09
Methylzero boosted:
2025-05-09

Too bad you can't give a Nobel prize to the PDB. How much science and medicine has been enabled because of this open resource? #OpenScience

RE: https://bsky.app/profile/did:plc:lxxe4qnoso2xog4bj43ykwor/post/3loocv7rzfc2d

2025-05-09

@victor_tokarev Libint2 from generator source, lets go 🙃

2025-05-08

Chinese chemical companies present their products in unbeatable ways on their websites...polyvinyl buttyral

2025-05-05

@brianb Would a pirate copy count as a free alternative?

Methylzero boosted:
2025-05-04

New blog post! "Load store conflicts", in which we look at some performance sensitive code that has surprisingly dramatic performance swings based on the compiler and the microarchitecture used. Boosts appreciated!

zeux.io/2025/05/03/load-store-

2025-05-01

@harold Yeah, that rule is bunk, or overbroad at the minimum

2025-04-29

@beyondmachines1 Please use this for maximum effect

2025-04-25

@AlanSill I have been thinking about this a little bit, and being able to adjust the load to meet the supply could help a lot. Modern hardware already tends to implement a lot of power states/DVFS tech, so it would make sense that the clock speeds of the compute nodes could follow the power output of the renewables powering the cluster.
Of course there is a compromise to be made with the users, who might be unhappy that their jobs run slower when power is scarce.
Maybe change sacct to count kWH?

2025-04-20

Wow, I learn something new every day. They talk about matrix effects in #AnalyticalChemistry but blood analysis is no doubt full of stuff like this, where taking biotin interferes with... a lot of seemingly unrelated blood tests!
hachyderm.io/@Impossible_PhD/1

Methylzero boosted:
Information Is Beautifulinfobeautiful@vis.social
2025-04-20

Just, y’know, a plot of all objects in the universe...🤯

A fascinating plot that provides a representation of various objects and phenomena in the universe across different scales of mass (y-axis) and size (x-axis), spanning from the very smallest (quantum scales) to the very largest (cosmological scales)

Client Info

Server: https://mastodon.social
Version: 2025.04
Repository: https://github.com/cyevgeniy/lmst