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Frontiers in Chemistry|August 14, 2023
Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTOXinming Qin, Honghui Shang, Jinlong Yang
Journal of Chemical Theory and Computation|January 24, 2023
Interpolative Separable Density Fitting for Accelerating Two-Electron Integrals: A Theoretical PerspectiveXinming Qin, Wei Hu, Jinlong Yang
Physical Chemistry Chemical Physics : PCCP|October 19, 2019
Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructuresXinming Qin, Wei Hu, Jinlong Yang
Journal of Chemical Theory and Computation|August 29, 2025
Low-Rank Approximations for Accurate and Efficient Plane-Wave Second-Order Møller-Plesset Perturbation TheoryZhaolong Luo, Xinming Qin, Wei Hu, et al.
The Journal of Physical Chemistry. A|November 17, 2020
Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic OrbitalsXinming Qin, Jielan Li, Wei Hu, et al.
Journal of Chemical Theory and Computation|December 17, 2021
Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point SamplingKai Wu, Xinming Qin, Wei Hu, et al.
The Journal of Physical Chemistry. A|June 16, 2020
Interpolative Separable Density Fitting Decomposition for Accelerating Hartree-Fock Exchange Calculations within Numerical Atomic OrbitalsXinming Qin, Jie Liu, Wei Hu, et al.
Talanta|September 20, 2022
Ionic liquid functionalized trapezoidal Zn-MOF nanosheets integrated with gold nanoparticles for photoelectrochemical immunosensing alpha-fetoproteinXinming Qin, Yu Pan, Jiachang Zhang, et al.
Journal of Chemical Theory and Computation|January 17, 2025
Dual-Grid and Mixed-Precision Methods for Accelerating Plane-Wave Hybrid Functional Electronic Structure CalculationsBingkun Hou, Sheng Chen, Xinming Qin, et al.
Frontiers in Chemistry|December 16, 2020
Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPASZhaolong Luo, Xinming Qin, Lingyun Wan, et al.
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