Peize Lin

Large-scale ab initio simulations based on systematically improvable atomic basis

Pengfei Li, Xiaohui Liu, Mohan Chen et al. · Computational Materials Science · 2015 · 166 citations

Engineering, Physics, Natural Sciences +10

Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective

Chengqiang Lu, Qi Liu, Chao Wang et al. · Proceedings of the AAAI Conference on Artificial Intelligence · 2019 · 163 citations · Full text

Geometric Learning, Engineering, Machine Learning +16

Solving frustrated quantum many-particle models with convolutional neural networks

Xiao Liang, Wen-Yuan Liu, Peize Lin et al. · Physical review. B./Physical review. B · 2018 · 104 citations · Full text

Quantum Science, Convolutional Neural Network, Engineering +13

Accuracy of Localized Resolution of the Identity in Periodic Hybrid Functional Calculations with Numerical Atomic Orbitals

Peize Lin, Xinguo Ren, Lixin He · The Journal of Physical Chemistry Letters · 2020 · 37 citations

Engineering, Theoretical Inorganic Chemistry, Localized Resolution +16

Strategy for constructing compact numerical atomic orbital basis sets by incorporating the gradients of reference wavefunctions

Peize Lin, Xinguo Ren, Lixin He · Physical review. B./Physical review. B · 2021 · 33 citations

Numerical Analysis, Quantum Science, Engineering +15