3 papers
physics.chem-ph2025
Stochastic Representation of Time-Evolving Neural Network-based Wavefunctions
Bizi Huang, Weizhong Fu, Ji Chen
Solving the time-dependent Schrödinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interaction…
physics.chem-ph2025
A particle view of many-body electronic structure with neural network wavefunction
Zichen Wang, Weizhong Fu, Zhe Li +2
In the study of electronic structure, the wavefunction view dominates the current research landscape and forms the theoretical foundation of modern quantum mechanics. In contrast,…
physics.chem-ph2025
Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation
Du Jiang, Xuelan Wen, Yixiao Chen +8
We demonstrate, for the first time, that neural scaling laws can deliver near-exact solutions to the many-electron Schrödinger equation across a broad range of realistic molecules.…