M. Irigoyen

Today #DIPCseminars 👇

📌 Kimika Teorikoa Seminar: POL-KT: Applying Theoretical Chemistry in Polymer Science
👨‍🔬 Mikel Irigoien, POLYMAT, @upvehu.bsky.social  
🗓️ May 16, 10:00
🏫 DIPC Seminar Room

Last Friday, we came together for our annual cider house gathering at Gartziategi Sagardotegia —amazing food, great company, and unbeatable vibes! 🍏🥂
#Sagardotegi #GoodTimes

Estimating global article processing charges paid to six publishers for open access between 2019 and 2023 This study presents estimates of the global expenditure on article processing charges (APCs) paid to six publishers for open access between 2019 and 2023. APCs are fees charged for publishing in some ...

🚨 Preprint! We combine our recent open dataset of #APC prices with the article counts per journal-year from #OpenAlex to estimate how much the academic community has paid in APCs over the last 5 years.

A. $8.349 billion ($8.968 B in 2023 USD)

$2.5B in 2023 alone.

arxiv.org/abs/2407.16551 #metasci

🚀 Join Us!
We have an exciting opportunity to join our research group!

This fully funded PhD position is part of the IPCat training programme.

Feel free to reach out if you have any questions or need more information.

👉 Apply now: www.findaphd.com/phds/project...

#PhD #compchem

Functional monomer design for synthetically accessible polymers Machine learning (ML) has emerged as a powerful tool to navigate polymer structure–property relationships. Despite recent progress, data sparsity is a major obstacle hindering the practical applicatio...

Kim et al. build a huge ML-labeled database (12M designs) of monomer-level properties for synthetically accessible polymers. They find that multiple properties—solubility, optical gap, flexibility—can be independently tuned, boosting next-generation polymer design. pubs.rsc.org/en/Content/A...

Jaso dut nik behin baino gehiagotan ere!! 😂😂

Gure Aiton-Amonek erraten zuten bezala:

"Si hay patata, no hay miseria!"

The amorphous state as a frontier in computational materials design Nature Reviews Materials - Amorphous materials are increasingly central components of key technologies, but their structures remain challenging to study. This Perspective highlights how recent...

Can we “design” amorphous materials with useful properties? We argue that #compchem & AI are bringing us closer towards this ambitious goal: rdcu.be/d3JD6

Found this again thanks to Kieron.

The DFT Song
(with apologies to John and Paul)

When I find my model’s unpredictive, Walter Kohn just comes to me, speaking words of wisdom,
DFTee. ...

openscholar.huji.ac.il/sites/defaul...

I think I need to sing this more ... #chemsky #compchemsky

post a PERFECT album from the 90s that isn´t Nirvana or Pearl Jam

PLUMED Tutorials: a collaborative, community-driven learning ecosystem In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific progress. However, ef...

#compchem Good read: PLUMED Tutorials: a collaborative, community-driven learning ecosystem #compchemsky arxiv.org/abs/2412.03595

Alt Text: Logo for MatterSim on a blue to green gradient background. The logo features a white molecular structure with six nodes connected by lines, positioned to the left of the text ‘MatterSim’ in white.

We're thrilled to announce the release of MatterSimV1-1M and MatterSimV1-5M on GitHub. These cutting-edge models are now available for researchers, developers, and innovators to explore, customize and build upon. github.com/microsoft/ma...

ChatGPT, based on what you know about me, draw me a picture of what you think my current life looks like. (This is so accurate, specially the skull haha)

POLYMAT Join the conversation

go.bsky.app/SQoQYAX

Most of the time we do! The times when not I wish I could have the real materials at my hands to apply all kind of deformations in them 😅

🙋‍♂️🙋‍♂️

#compchem working in modelling polymeric materials at all scales, show up! 🙋‍♂️

This poster explores some of the common stressors that postdoctoral researchers face during their postdoc. Image shows "perils of a postdoc, mental health awareness' with a person climbing a mountain, surrounded by examples of mental health challenges. Number 1: Compete or perish. With extremely limited tenure positions, postdocs can feel pitted against one another to achieve a permanent faculty position. Number 2: Need for independence. The need for independence in order to apply for fellowships is high, but stepping out from under a PIs can be tough. Having a support to pursue an academic career from the PI is often essential. With the increasing size of academic cohorts, Number 3: Position instability. The prevalence of short-term contracts can lead to anxiety and their inabilities to settle down in a particular location, having financial and personal impact. Number 4: Alt-academia sell-out The narrative often is that if you opt to choose an alternative career outside of academia you have failed and sold out. Number 5: A star is born. Corresponding author positions are often needed to show research independence but achieving this can be difficult without already having had a permanent faculty position. Number 6: burnout or drop out. The culture of research often implies that if you are not working 24/7 you are not passionate about research resulting in feelings of guilt and ultimately leaving academia. Number 7: don't get stuck. There is often pressure to not get stuck in a post doc and move on to the next opportunity else you may never make it. Number 8: Global challenges. The need to be mobile and get experience in different postdocs around the world is often emphasised. This can lead to culture integration issues and separation from loved ones Number 9: teaching experience. To progress in academia teaching experience is needed but opportunities to do so often very limited, ultimately affecting progression. …

The perils of a postdoc #AcademicMentalHealth

What people might be struggling with behind the scenes

But it also increases the chances of burnout… mental health in academia is more important than getting things done (often)!

go.bsky.app/Qc4frbt

Made a starter pack for computational chemists, let me know who I missed please

@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social