arXiv physics.chem-ph

Chemical Physics daily digest.

17 past editions, oldest first by date. Atom feed → · all categories

01 — Past editions

most recent first

2026-09-09 Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules 1 papers · No. 110
2026-09-03 HiPoly: a hierarchical polymer-native AI framework for property prediction... 2 papers · No. 104
2026-08-20 Science Done on a Machine by a Machine: AI Agents in Computational Chemistry 2 papers · No. 90
2026-08-17 Reaction-Transformation-Aware Flow Matching for Generalizable Transition... 1 papers · No. 87
2026-07-30 Using large language models to probe the limits of atom-centered structural... 1 papers · No. 69
2026-07-27 Graph-Theoretic Neural Network Fragmentation with Covariant Direct Molecular... 1 papers · No. 66
2026-07-23 Hypothesis-and-Refinement Learning of Organic Structures from Multimodal... 2 papers · No. 62
2026-07-19 Full-data accuracy with fewer labels for training and fine-tuning... 1 papers · No. 58
2026-07-18 Full-data accuracy with fewer labels for training and fine-tuning... 1 papers · No. 57
2026-07-17 Full-data accuracy with fewer labels for training and fine-tuning... 1 papers · No. 56
2026-07-12 Reaction-network reasoning with frontier models for experimentally confirmed... 1 papers · No. 51
2026-07-11 Reaction-network reasoning with frontier models for experimentally confirmed... 1 papers · No. 50
2026-07-10 Reaction-network reasoning with frontier models for experimentally confirmed... 1 papers · No. 49
2026-07-08 EOM-CC Excited-State Gradients and Nonadiabatic Couplings on a Consumer GPU... 1 papers · No. 47
2026-07-07 Physically-Relevant Information Learning in High-Dimensional Time-Derivatives Spaces 1 papers · No. 46
2026-06-15 A Fixed-Point Neural Operator for Size- and Functional-Transferable... 1 papers · No. 24
2026-06-09 Closing the Prior-Posterior Loop: Self-Reflective Molecular Design with... 1 papers · No. 18

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