9 papers
Towards stable and accurate electron dynamics via neural network based time-dependent variational Monte Carlo
Weizhong Fu, Zhe Li, Yubing Qian +3
Real-time dynamics of interacting electrons lies at the interface between quantum mechanics and non-equilibrium physics, governing the microscopic origin of ultrafast phenomena of…
Topological invariant of periodic many body wavefunction from charge pumping simulation
Haoxiang Chen, Yubing Qian, Weiluo Ren +2
Many-body topological quantum states host exotic quantum phenomena and lie at the forefront of developing next-generation quantum technologies. Recently emerged neural network wave…
Dataset Distillation for Machine Learning Force Field in Phase Transition Regime
Ruiyang Chen, Qingyuan Zhang, Ji Chen
Machine learning force field (MLFF) has emerged as a powerful data-driven tool for atomistic simulations, enabling large-scale and complex atomic systems to be simulated with accur…
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…
Spin-Adapted Neural Network Wavefunctions in Real Space
Ruichen Li, Yuzhi Liu, Du Jiang +7
Spin plays a fundamental role in understanding electronic structure, yet many real-space wavefunction methods fail to adequately consider it. We introduce the Spin-Adapted Antisymm…
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,…