physics.chem-ph · 2026-07-10 · No. 49

Chemical Physics, 2026-07-10.

1 new papers in physics.chem-ph. Titles, authors, abstracts. Links to arXiv. Want this in your inbox every morning? Subscribe →

01 — The papers

1 entries
  1. 01

    Reaction-network reasoning with frontier models for experimentally confirmed catalyst-selectivity hypotheses

    Sutanay Choudhury, Anwesha Banerjee, Udishnu Sanyal, Jorin Dawidowicz, Chiezugolum Ijeoma Odilinye, Jesun Firoz,...

    physics.chem-ph · cs.AI

    Catalysts are essential for sustainable chemical manufacturing, yet discovering novel architectures remains a bottleneck dominated by trial-and-error experimentation and computationally intensive screening. In complex reactions such as electrochemical carbon dioxide reduction, product selectivity is governed by dynamic interfacial, electrolyte, and potential factors as well as kinetic pathway competition. Conventional descriptor-based machine...

    arxiv.org/abs/2607.08003 · PDF

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