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physics.chem-ph2026
A Unified Generative Framework for Scalable Chemical Reaction Network Exploration
Zechang Sun, Chenxi Hu, Kailai Lin +6
Chemical reaction networks (CRNs) are crucial for understanding reaction mechanisms and guiding chemical synthesis, yet the computational exploration remains limited by the combina…
physics.chem-ph2026
Permutation invariant multi-scale full quantum neural network wavefunction
Pengzhen Cai, Yubing Qian, Li Deng +8
Solving the intricate quantum behavior of interacting particles is key to unlocking the mysteries of condensed matter, but capturing their complex correlations across different sca…