Lingyun Wan

9PUBLICATIONS
15CO-AUTHORS
Theoretical quantum chemistryComputational chemistryQuantum computationEngineering electromagneticsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (9)

|Feb 24, 2025
PyPWDFT: A Lightweight Python Software for Single-Node 10K Atom Plane-Wave Density Functional Theory Calculations.

Jun Gao, Lizhong Fu, Shizhe Jiao

|Jan 31, 2025
Projected Wave Function Extrapolation Scheme to Accelerate Plane-Wave Hybrid Functional-Based Born-Oppenheimer Molecular Dynamics Simulations.

Shizhe Jiao, Lingyun Wan, Jielan Li

|Nov 01, 2024
Hybrid Hamiltonian Simulation for Excitation Dynamics.

Lingyun Wan, Jie Liu, Zhenyu Li

|Apr 02, 2024
Proposed Quantum Twisting Scanning Probe Microscope over Twisted Bilayer Graphene.

Yifan Ke, Lingyun Wan, Xinming Qin

|Mar 05, 2024
Machine Learning K-Means Clustering in Interpolative Separable Density Fitting Algorithm: Advancing Accurate and Efficient Cubic-Scaling Density Functional Perturbation Theory Calculations within Plane Waves.

Jielan Li, Liu Yang, Lingyun Wan

|Mar 02, 2024
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.

Shizhe Jiao, Jielan Li, Xinming Qin

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Frequent Collaborators

9 joint publications

Jinlong Yang

8 joint publications

Wei Hu

5 joint publications

Jielan Li

4 joint publications

Xinming Qin