Having hosted a workshop last year and learned that many people from the industry can only get travel approved way later than 100 days in advance. I hope that this does not mean they will be missing. Would not be nice for students who look for jobs.

While I tend to keep my feeds and posts fairly #CompChem centered, there may be an occasional reference to video games, bouldering or metal/punk/rock.

Since autumn 2023 I am helping to develop a Chemistry and Materials Science platform at Microsoft Azure Quantum, and as the name suggests I now get to help to onboard quantum computing to the space
aka.ms/qwcaq

Molecular quantum chemistry and chemical reactions did stay at the heart of my work.

The key question for me is usually how to use them well, what for, and whether or not more than the two PhDs that made them reality can actually do anything useful with them.

My interests in #CompChem are broad, the motto could be: "anything that works".
Hence, AI, ML, DFT, CC, DMRG, semi-empirics, force-fields, quantum computing, all interesting approaches and methods.

During my PostDoc in academia the I lead the software development for many parts of SCINE, a software framework for this exact purpose.

Overview: pubs.aip.org/aip/jcp/arti...

My name is Jan, I write software to help chemists model chemistry better.
Since more than six years I have been focused on the automated exploration of chemical reactions.

Introduction: www.annualreviews.org/content/jour...

Close, I would attribute some intent to not say much at all or deceive, too. That is for "Geschwurbel" then the german language has its moment and lets us make "quantum verbiage" into a single joined noun.

Will you push some healthy ECP supplements? ;)

🍿What's next Emacs vs. Vi(m)? Anyone? 😁

There is a lot of nice people maintaining starter packs to quickly find a few people to follow. Here, one for CompChem

go.bsky.app/Qc4frbt