75 citations · 224 across the 11 of their papers we have counts for
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physics.chem-ph2023
DeePKS Model for Halide Perovskites with the Accuracy of Hybrid Functional
Qi Ou, Ping Tuo, Wenfei Li +3
Accurate prediction for the electronic structure properties of halide perovskites plays a significant role in the design of highly efficient and stable solar cells. While density f…
physics.chem-ph2022★ 17 cited
DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials
Wenfei Li, Qi Ou, Yixiao Chen +9
Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanica…
physics.chem-ph2019★ 14 cited
Stochastic embedding DFT: theory and application to p-nitroaniline
Wenfei Li, Ming Chen, Eran Rabani +2
Over this past decade, we combined the idea of stochastic resolution of identity with a variety of electronic structure methods. In our stochastic Kohn-Sham DFT method, the density…