SciPost is a decade old! 🎉

Looking back, we feel immense gratitude for your engagement and support, without which none of this would have been possible.

You are our authors, Fellows, referees, readers, advisors, and sponsors: our everything.

We hope you're ready for more; we certainly are.

#ProudPI

Featuring our own Caleb Fyffe (transfer learning mutual information indices in proteins), Oluwanifemi Akintola (#compchem DFT exploration in High Entropy Alloys) and Khanh Phung (machine learning electrochem sensor cleaning).

PhD Position in Quantum Trajectory Methods for Open Quantum Systems PhD position in Marseille on quantum trajectory methods for open quantum systems, with emphasis on coding, scientific software development, and scalable simulations. Strong background in physics, theo...

PhD opportunity in Marseille: Quantum Trajectory Methods for Open Quantum Systems.

I'm looking for a candidate with a strong background in #physics, #compchem, or #appliedmath for a coding-heavy project involving scalable simulations.

Details:
euraxess.ec.europa.eu/jobs/428189

One aspect i like about the current peer reviewing model for conferences is that reviewers can point out their level of confidence and/or familiarity with the subject.

Teams shot during Mostafa Javaheri’s PhD defense. Mostafa is second row second from the right

Congrats to (soon-to-be-Dr) Mostafa Javaheri for successfully defending his PhD thesis today! As a true Janos, he defended his work between quantum and bio-chemistry. Well done!

Come join us @uwinnipeg.bsky.social Chemistry! Tenure-track Assistant Professor in Biochemistry. Submit by April 20 for full consideration. Please share widely and DM or email me if you would like more info. #chemjobs #facultychemjobs

New research sheds light on complex relationship of hearing loss, social isolation and dementia onset New research by a University of New Brunswick researcher has deepened our understanding of the relationship between hearing loss, social isolation and dementia.

What’s the connection between hearing loss, social isolation and dementia onset?

A group of doctors brought this question to Dr. Ted McDonald, director of UNB's DataNB institute, and together they dove into the data to find out.

Read more about what they discovered: blogs.unb.ca/newsroom/202...

Made the same false connections 😅. Wonder whether they were red herrings @nytimes.com

Wow, thx Daniel!

Occupancies vs embeddings: internal representations of Ab Initio and graph probabilistic models. - Theoretical Chemistry Accounts Chemical modeling has traditionally been dominated by the exact framework of ab initio models based on the fundaments of quantum mechanics. However, recent advances in machine learning and data-driven...

Here’s the link if you want to read more: link.springer.com/article/10.1..., and hook me up for a coffee if you want to chat more!

Our paper on “occupancies vs embeddings” received an accolade from the editors at Theor. Acc. Chem @springernature.com .

The question we asked over the last few years was: “if a graph neural network learns from DFT potentials, does it _get_ there is an underlying density”? The answer is: maybe yes?

Thx for this wonderful recognition of our work!

Michael Schuurman presenting a slide showing ultrafast spectroscopy

Michael Schuurman from @uottawa.ca /NRC showing how ultrafast spectroscopy can help us better understand isomerization processes in the a/diabatic picture in today’s department seminar.

Michael Schuurman in front of the QuNB’s floor to ceiling blackboard. Equations are on the board

Awesome to have NRC/@uottawa.ca Michael Schuurman visiting the QuNB lab, here introducing us to a/diabatic couplings. Looking forward to the seminar tomorrow !@chemistryunb.bsky.social

J’ai toujours préféré la mer (du nord) pendant l’hiver que l’été…

Ik heb het trouwens altijd steek vinden houden dat Lagaffe een paper over zonnecellen had.

Idd, vrij stevig zelfs, gelukkig zonder blijvende gevolgen.

Idd! Ik ben er nog steeds zeer trots op dat mijn Flater nummer 2 is!

a cat wearing a blue shirt is sitting on a laptop computer ALT: a cat wearing a blue shirt is sitting on a laptop computer

Just a normal quiet week, basking in the healthy led rays

I’m starting to realize the main reason I don’t get replies to my e-mails is not that people are ghosting me, it is that my own e-mails are buried under a pile of other unsent *drafts* stuck in my outbox ….

Pile of papers, on a desk, taken from https://img.freepik.com/premium-photo/large-pile-documents-files-messy-office_605022-12520.jpg

Nah, I print and incorporate them in my “oo cool, will read later, for sure!!” classification scheme.

Yes, same reason: impossible to keep track of all that is new in all my fields of interest. Scholar does a decent job, but I also muted the notifications…. 😔

I was on the same train: transferred to Scholar long time ago, the only google product I use on a daily basis…

For one, I find introductions of PhD theses much better written in the last few years, and I can’t say I regret that.

Tabarnak!

Omid Tarkhaneh in front of a blackboard, next to a projector screen showing the first slide of their seminar presentation with title “Predicting HOMO-LUMO Gap using Hartree-Fock Calculated data and Machine Learning”

Today’s seminar in the @chemistryunb.bsky.social department featured our postdoc Omid Tarkhaneh, talking about their PhD work on machine learning HOMO-LUMO gaps using ensemble learning. #compchem

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Exciting! Congrats 👏 🥳