hcsj.bsky.social
Assistant professor at UFRRJ. Computational chemist from Rio de Janeiro. My thing is inorganic and photochemistry. I do some python. I play some blues. This is my personal account. Opinions are my own.
👤 Joined on 29 July 2023
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Digichem v8.1.1 is out now 🎉 Bringing improved support for massive molecules with xTB, expanded double-hybrid functionals and bugfixes, check it out here: digi-chem.co.uk/blog/digiche... #Digichem #CompChem
Show Post"Why citations are moribund" ...indeed, citations have lost their meaning, in times of citation rings & brokers, assisted by corrupted reviewers, fueled by institutional incentives & publishers accepting even the worst junk as long as authors pay... #ResearchIntegrity #ChemSky #CompChemSky #PiSky
Show PostCan MLPs be more accurate than the methods they are trained on? Yes: method-transferable MLPs combined with known quantum-chemical method hierarchies can overturn this apparent limit. Our preprint: arxiv.org/abs/2610.18027 #compchem #mlchem
Show PostEducation history www.theverge.com/podcast/1013...
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