Molecular Origins of Simultaneous Chemo-, Enantio-, and Substrate Selectivity in Non-Natural Photoenzymatic Radical Reactions Selective radical chemistry poses fundamental challenges for modern catalysis. Non-natural photoenzymes, most prominently flavin-dependent “ene”-reductases, have recently emerged as appealing systems ...

Excited to share our latest work on elucidating the molecular origins of three types of selectivity in non-natural #photoenzymatic radical reactions using #compchem, including multiscale simulations and enhanced sampling, just published in #J_A_C_S! pubs.acs.org/doi/10.1021/...

Electronic structure theory with molecular point group symmetries on quantum annealers Quantum computation has the potential to revolutionize quantum chemistry through major speedups in computation times and an exponential reduction in computation

We used symmetry-adapted encodings to reduce the qubit requirement for electronic structure theory on quantum annealers. Check out our new paper doi.org/10.1063/5.02..., featured in the JCP Emerging Investigators Special Collection! #compchem #quantumcomputing #chemsky

Infographic on the chemistry of pumpkins. The colour of pumpkins is due to carotenoid compounds such as beta-carotene, the same compound that gives carrots their orange colour. The vegetal aroma of pumpkins is mainly due to cis-3-hexen-1-ol, along with other six-carbon alcohols and aldehydes. Canned pumpkin is often not the same type of pumpkin as those used for carving, and consequently the aroma compounds differ, including burnt-smelling 2-methylbutanal, coffee furanone, and furfural. Pumpkin spice flavour has little to do with pumpkin and more to do with the spices added, including cinnamon, nutmeg and clove.

It's #NationalPumpkinDay! Before you get carving, here's why pumpkins are orange, the compounds behind their vegetal smell, and more in @cenmag.bsky.social: cen.acs.org/articles/93/... 🧪

Hungry for science? 😋

Have a feed! 🍴

Here's a searchable list of over 50 science-related feeds on BlueSky. Find the stuff you're interested in and tag your own posts to get them included.

#AcademicSky 🧪

#Chemsky

My research group has a #postdoc position on developing quantum algorithms for electronic structure theory and dynamics on #quantumcomputers.

Please feel free to share it with your network or apply!

#quantumcomputing #compchem #postdocjobs
Details: drive.google.com/file/d/1kQoS...

BlueSky for Scientists BlueSky for Scientists Authors: Steve Haroz and Mark RubinURL: http://blueskyscience.steveharoz.com Features you may miss from Twitter or Mastodon As BlueSky is in beta, some features are not impleme...

Scientist?

New to BlueSky?

Trying to figure out what the hell a "feed" is and why hashtags aren't working the same as on Twitter?

Check out this quick start guide by @steveharoz.com and me 👇