#computational chemistry — Friday, July 17, 2026 (2 items)
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Flow matching for reaction pathway generation.
(nature.com)
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Nature Communications 2026-07-17 | #computational chemistry #reaction-mechanisms #machine learning #generative_models #optimization | |
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Machine learning innovations for reliable gurney energy estimation in energetic materials.
(linkinghub.elsevier.com)
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iScience 2026-07-17 | #machine learning #energetic-materials #prediction #computational chemistry |