20 citations · 46 across the 8 of their papers we have counts for
5 papers · 1 filter
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
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…
Deep learning quantum Monte Carlo for solids
Yubing Qian, Xiang Li, Zhe Li +2
Deep learning has deeply changed the paradigms of many research fields. At the heart of chemical and physical sciences is the accurate ab initio calculation of many-body wavefuncti…
Electric Polarization from Many-Body Neural Network Ansatz
Xiang Li, Yubing Qian, Ji Chen
Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electro…
Interatomic force from neural network based variational quantum Monte Carlo
Yubing Qian, Weizhong Fu, Weiluo Ren +1
Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of ye…