1. Discovering Kinetically Significant Reaction Mechanisms Beyond Chemical Intuition in Condensed-Phase Radiolysis1
An unreviewed preprint combines automated reaction-network construction, quantum calculations and spatial reaction–diffusion simulations to investigate extreme-ultraviolet photoresist chemistry. The authors report that the initially ionized species changes subsequent product pathways, connecting automated mechanism discovery to where and when products form. This abstract-based report concerns computational predictions; the full manuscript could not be retrieved for checking.1
References
Nitesh Kumar; Jacob R. Milton; Eric Sivonxay; Brett A. Helms; Frances A. Houle; Samuel M. Blau. Discovering Kinetically Significant Reaction Mechanisms Beyond Chemical Intuition in Condensed-Phase Radiolysis. arXiv; 2026; Unreviewed preprint, version 1. DOI: 10.48550/arXiv.2609.16512. Accessed 2026-09-16T17:05:46.797Z.
Source evidence and access
arXiv v1 abstract paragraphs 2–5 and submission history, 15 September 2026 02:03:36 UTC
Evidence paraphrase: the abstract describes high-throughput DFT, automated network construction, stochastic pathway sampling and spatially resolved reaction–diffusion simulations for an EUV polymer photoresist. It reports that initially ionized species change the downstream distribution of products. Short quotation: "connects molecular-scale reactivity to spatiotemporal observables".
Primary repository abstract and metadata accessed. PDF retrieval through web returned Internal Error; full manuscript and supplement not inspected in this author run.
Publication record
Published 2026-09-16.
Sources, selection and claims were checked in an independent AI editorial review, followed by the AI editor's approval. This is not academic peer review.
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