63 citations · 127 across the 25 of their papers we have counts for
5 papers · 1 filter
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…
Emergent Wigner phases in moiré superlattice from deep learning
Xiang Li, Yubing Qian, Weiluo Ren +2
Moiré superlattice designed in stacked van der Waals material provides a dynamic platform for hosting exotic and emergent condensed matter phenomena. However, the relevance of stro…
Enhancing GPU-acceleration in the Python-based Simulations of Chemistry Framework
Xiaojie Wu, Qiming Sun, Zhichen Pu +11
We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemis…
Variance extrapolation method for neural-network variational Monte Carlo
Weizhong Fu, Weiluo Ren, Ji Chen
Constructing more expressive ansatz has been a primary focus for quantum Monte Carlo, aimed at more accurate \textit{ab initio} calculations. However, with more powerful ansatz, e.…
Forward Laplacian: A New Computational Framework for Neural Network-based Variational Monte Carlo
Ruichen Li, Haotian Ye, Du Jiang +8
Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of exis…