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/...
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/... 🧪
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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...
