Lingyun Wan

KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set

Wei Hu, Jie Liu, Yingzhou Li, 2022, Comput. Phys. Commun..

Demonstration of Quantum Nonlocality for Multi-Qubit Systems via Quantum Programming

D. Ding, Tong Hou, Lingyun Wan, 2020, International Journal of Theoretical Physics.

Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS

Wei Hu, Jinlong Yang, Xinming Qin, 2020, Frontiers in Chemistry.

High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers

Wei Hu, Xinming Qin, Junshi Chen, 2022, CCF Transactions on High Performance Computing.

Identifying Photocatalytic Active Sites of C2H6 C-H Bond Activation on TiO2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations.

Wei Hu, Jie Liu, Jinlong Yang, 2022, The journal of physical chemistry letters.

Accelerating Parallel First-Principles Excited-State Calculation by Low-Rank Approximation with K-Means Clustering

Wei Hu, Jie Liu, Xinming Qin, 2022, ICPP.

Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals.

Jie Liu, Jinlong Yang, Zhenyu Li, 2020, Journal of chemical theory and computation.

Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure.

Wei Hu, Jinlong Yang, Kai-Hsin Wu, 2020, Nano letters.

Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set.

Chao Yang, Wei Hu, Jie Liu, 2021, The journal of physical chemistry. A.

Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals.

Jie Liu, Jinlong Yang, Zhenyu Li, 2020, Journal of chemical theory and computation.

An Efficient Multi-GPU Implementation for Linear-Response Time-Dependent Density Functional Theory

Wei Hu, Junshi Chen, Shizhe Jiao, 2020, 2020 IEEE 22nd International Conference on High Performance Computing and Communications; IEEE 18th International Conference on Smart City; IEEE 6th International Conference on Data Science and Systems (HPCC/SmartCity/DSS).

Complex-Valued K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Large-Scale Hybrid Functional Enabled Ab Initio Molecular Dynamics Simulations within Plane Waves.

Wei Hu, Xinming Qin, Shizhe Jiao, 2022, The journal of physical chemistry. A.