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#computationalchemistry

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Asta [AMP]

On this note: are you interested in #tech, #selfHosting, #science, #computationalScience, #HPC, #liberatoryTech, or just #POSIX in general but otherwise lack the resources, financial or otherwise? Get in touch with me and we can have a chat about maybe getting you some time. I can't promise when things will be ready or how much I can offer, but.

No generative AI training, please. 'Classic' ML that doesn't generate trash, contribute to surveillance, or rely on stolen data is fine though.

EDIT: please feel free to boost! DMs for initial contact are fine; while I run my server, I do not run yours so just a hello and a general area of interest are all I ask that you put in there. If you feel a project or interest is sensitive we can arrange another chat medium from there. I just wanna get a sense of who you are since I'll be, you know, letting you access the computer sitting in my office lmao.

EDIT 2: I can also specifically help to some degree if you're interested in learning about #computationalChemistry, #proteinFolding, or running a few different types of #simulations.

EDIT 3: If you're interested in writing/deploying/understanding #webDesign, #webTech, etc, that's also possible. I'm not trying to limit anything here, mostly just tagging with what things I know.

EDIT 4: jesus christ Audrey. Anyway, "a sense of who you are" does NOT have to include personally identifying information. I mean much more informal and useful stuff than that, such as what you're interested in and wanna work on. I want you to get to know me a little bit, too, because we'll both need a degree of trust and if you feel you can't trust me then please don't force yourself to.

RE: https://fire.asta.lgbt/notes/a3911f2wi43200mf

fire.asta.lgbtAsta [AMP] (@aud)ALSO I am getting closer and closer to my goal of getting some educational compute going. I wouldn't say I _know_ freeipa or care but I did at least get an NFS w/ automatically mounted home directories going last night, despite my brain's immense desire to just fuck off while doing it. Ultimately even if it's not strictly HPC or science, I'd like to offer people the chance to play with some technologies that they'd otherwise have to utilize corporate services to experiment with. I dunno; it's something I can do, and I think the more we turn 'the cloud' into something owned and run by individuals (call it 'the fog'? since it's at person height? 😅) the better.
Public
G. Clavier

I am shamefully copying this post from Linkedin but if you happen to know any candidate, do not hesitate to reach:

It's on. To my #ComputationalChemistry network, I am calling on you. 🙇

The PM2E team in the CIMAP laboratory (www.cimap.ensicaen.fr) is looking for a #PhD hashtag#candidate. The goal of the project is to understand key parameters in #semiconductor defects stability and physics (both vacancies and color centers, see for example: doi.org/10.1016/j.nimb.2022.12) through the use of
#DFT and #MolecularModeling. The end goals of the project is concerned with application for #QuantumComputing through the making of stable #qubit. Collaboration and communication with experimentalists will be part of the project.

If you're interested in #MolecularDynamics, #MonteCarlo simulations, or DFT and quantum calculations, we are waiting for you. We are using codes such as #Lammps and #QuantumEspresso. We are looking for a candidate finishing or already having a master degree (or equivalent diploma) with training in #physics/ #MaterialsScience / #TheoreticalChemistry. Any experience in programming using #Python, #C and the #Linux environment would be considered a plus.

The position is located in Alençon (Orne) between Caen and Le Mans. Founding is assured for relevant candidates.

Link to the offer (in french, you can ask for an english version): abg.asso.fr/en/candidatOffres/

Public
Beilstein-Institut

You are interested in #ComputationalChemistry? Then don’t miss the opportunity to join the online #BeilsteinTalk “Computationally-led catalyst design" with Cristina Trujillo @TrujilloGroup from The University of Manchester, on Dec. 10, 2024 🕒 3–4 pm CET.

Register for FREE! 🔗 beilstein-institut.de/en/talks

#Catalysis#compchem#MachineLearning
Public
Beilstein-Institut

Invitation to join the online #BeilsteinTalk “Computationally-led catalyst design" with Cristina Trujillo @TrujilloGroup from The University of Manchester, on Dec. 10, 2024 🕒 3–4 pm CET. Dr. Trujillo will present various projects on the in-silico design of #catalysts.

Register for FREE! 🔗 beilstein-institut.de/en/talks

GIF
#ComputationalChemistry#Catalysis#compchem
Public
Beilstein-Institut

Save the date 📅 Dec. 10, 2024 🕒 3–4 pm CET
Online #BeilsteinTalk “Computationally-led catalyst design" with Cristina Trujillo, The University of Manchester.
As #organocatalysis remains one of the most challenging topics in contemporary organic chemistry, Dr. Trujillo will present various projects on the in-silico design of #catalysts.
Register for FREE 🔗 beilstein-institut.de/en/talks
#ComputationalChemistry #BeilsteinTalks

Public
Matt Willemsen

New Catalysis Breakthrough Could Unlock Massive Energy Savings
In a significant breakthrough for the field of computational chemistry, chemical engineers from the University of Wisconsin-Madison have created a model that elucidates how catalytic reactions work at the atomic level. This newfound understanding could enable engineers and chemists to design improved catalysts and optimize industrial procedures, possibly resulting in enormous energy savings.
scitechdaily.com/new-catalysis #catalyst #ComputationalChemistry

SciTechDailyNew Catalysis Breakthrough Could Unlock Massive Energy SavingsIn a significant breakthrough for the field of computational chemistry, chemical engineers from the University of Wisconsin-Madison have created a model that elucidates how catalytic reactions work at the atomic level. This newfound understanding could enable engineers and chemists to design improve
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