machinesynthesis @machinesynth
Joined October 2021-
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Martini 3 Coarse-Grained Models for Carbon Nanomaterials | Journal of Chemical Theory and Computation pubs.acs.org/doi/full/10.10…
Delighted to share the work of @JohnBergner2 about the influence of fluoranthene in the TPA response of ribbon-shape nanographenes! 😊 Huge congratulation to the team @KivalaGroup @Campana_Lab @ErmelindaMacoas Beautiful work! 👏 pubs.acs.org/doi/10.1021/ac…
Our latest in Nature Chemistry💡: porphyrins wired to graphene nanoribbons. A hybrid system with tunable electronic, magnetic & optical properties — potential for sensors & quantum devices. 📖rdcu.be/eBHyj
Babbage's Difference Engine solved polynomials. Frames of Bad Apple can be represented as a set of Bezier curves. Bezier Curves are polynomials. So, a suitably modified difference engine could draw Bad Apple
Using the same precursor, we steer on-surface cyclodehydrogenation by surface structure: Cu(110) → isokekulene Cu(111) → kekulene STM + DFT reveal how surface structure directs selectivity. Paper: onlinelibrary.wiley.com/doi/full/10.10… #OnSurfaceSynthesis #Cycloarene #STM
Tetraazanonacene with four pyridine-like rings synthesized on Au(111) surface via STM tip manipulation: stable, electronic properties shaped by nitrogen atom distribution. More here 👉 onlinelibrary.wiley.com/doi/10.1002/an… #TACY #OnSurfaceSynthesis #Azaacenes #STM
Maybe one day we'll be able to print entire scale accurate battlefields that fit on a stamp
Maybe one day we'll be able to print entire scale accurate battlefields that fit on a stamp
You Can't Manufacture a NeRF - an ICML position paper from CMU that discusses what it means to generate a 3D object that can be manufactured. Nothing too controversial and feels a bit more like a survey- but good reference to have for explaining this concept 🙂
Once ML world models take off, it'll be interesting to see if there's any datasets that degrade real world modeling performance. For example, learning minecraft/movie physics may make the model worse at real physics.
Microsoft's developing DFT methods?
Microsoft's developing DFT methods?
Our new @ChemRxiv preprint: AIMNet2-rxn: A #MachineLearning Potential for Generalized Reaction Modeling on a Millions-of-Pathways Scale! #compchem Collaboration with @ProfSavoie group. Funded by @USNavyResearch under #MURI program chemrxiv.org/engage/chemrxi…
First isolated by Michael Faraday 200 years ago, benzene started as a mysterious liquid with a peculiar aromatic smell and has gone on to transform the landscape of chemistry. chemistryworld.com/opinion/benzen…
DNA condensates powered by azobenzene undergo photoswitchable state transitions, enabling remote-controlled microflows with precise phase-separation control. PMID:40368917, Nat Commun 2025, @NatureComms doi.org/10.1038/s41467… #AI #Pharma #BioMed #RNA #ASHG #ESHG
This AFM painting goes hard. Also a cool technique for investigating piezoelectrics
This class of materials could be pretty interesting. Rotaxanes daisy chained together can act like actuators. Putting them into something 2D/3D means they can work together
This class of materials could be pretty interesting. Rotaxanes daisy chained together can act like actuators. Putting them into something 2D/3D means they can work together
For years, I’ve been tuning parameters for robot designs and controllers on specific tasks. Now we can automate this on dataset-scale. Introducing Co-Design of Soft Gripper with Neural Physics - a soft gripper trained in simulation to deform while handling load.

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