12 citations · 12 across the 2 of their papers we have counts for
3 papers
cs.AI2026
Recursive Improvement of a Differentiable Scientific Software Ecosystem
Pengcheng Hou, Xiaojun Tan, Sihan Hu +5
Differentiable programming connects scientific computation with gradient-based inference, learning and design. Extending these capabilities across a heterogeneous software ecosyste…
physics.chem-ph2025
Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
Ruisi Wang, Qi Zhang, Lei Wang
Protonated methane, CH5+, is a highly fluxional molecule with large spatial motions of the hydrogen atoms. The molecule's anharmonic effects and the delocalized wavefunction of the…
physics.chem-ph2024★ 12 cited
Neural canonical transformations for vibrational spectra of molecules
Qi Zhang, Rui-Si Wang, Lei Wang
The behavior of polyatomic molecules around their equilibrium positions can be regarded as quantum coupled anharmonic oscillators. Solving the corresponding Schrödinger equations c…