#reactionnetwork — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #reactionnetwork, aggregated by home.social.
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@samblau.bsky.social, Brett Savoie (Notre Dame), and I are organizing a symposium for @amerchemsociety.bsky.social Fall 2025 called "Chemical Reaction Networks, Retrosynthesis, and Reaction Prediction" under @acscomp.bsky.social. #reactionnetwork #CRN #retrosynthesis 🧪 ⚗️ #CompChem
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CW: Academic publishing
New preprint on ChemRxiv! In "Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries", I teamed up with experimentalists at Argonne and Sandia National Labs to explain gassing behavior in next-generation Mg-ion batteries. Combining reaction network analysis with online electrochemical mass spec, we identify H2O, CH3OH, and C2H4 as major evolved gases and explain how these gases form!
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CW: Academic publishing
New preprint on ChemRxiv! In "Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries", I teamed up with experimentalists at Argonne and Sandia National Labs to explain gassing behavior in next-generation Mg-ion batteries. Combining reaction network analysis with online electrochemical mass spec, we identify H2O, CH3OH, and C2H4 as major evolved gases and explain how these gases form!
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CW: Academic publishing
If folks want the Springer Nature SharedIt link, DM me, and I'm happy to share that as well.
Thanks so much to my co-authors, especially Mingjian, who organized us all and wrote many of the ML sections, and Sam Blau, who included me on the manuscript in the first place and made so many of our pretty figures!
#chemistry #compchem #paper #reactionnetwork #machinelearning #ml #crn #reactivity #network @chemistry @compchem
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CW: Academic publishing
If folks want the Springer Nature SharedIt link, DM me, and I'm happy to share that as well.
Thanks so much to my co-authors, especially Mingjian, who organized us all and wrote many of the ML sections, and Sam Blau, who included me on the manuscript in the first place and made so many of our pretty figures!
#chemistry #compchem #paper #reactionnetwork #machinelearning #ml #crn #reactivity #network @chemistry @compchem