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Juntao Lai

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Journal of Chemical Theory and Computation|April 17, 2026

Accurate Vibrational Frequency Calculations for Quantum Computing via an Analytic Second-Order Energy Derivative FrameworkJuntao Lai, Qiang Fu, Zhenyu Li, et al.

The Journal of Chemical Physics|September 19, 2023

Accurate and efficient calculations of Hellmann-Feynman forces for quantum computationJuntao Lai, Yi Fan, Qiang Fu, et al.

Journal of Chemical Theory and Computation|October 23, 2024

Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer ArchitectureJuntao Lai, Bowen Kan, Yangjun Wu, et al.

Pageof 1

Search research articles

Showing results (1-10 of 3) with videos related to

Sort By:

Pageof 1

Journal of Chemical Theory and Computation|April 17, 2026

Accurate Vibrational Frequency Calculations for Quantum Computing via an Analytic Second-Order Energy Derivative FrameworkJuntao Lai, Qiang Fu, Zhenyu Li, et al.

The Journal of Chemical Physics|September 19, 2023

Accurate and efficient calculations of Hellmann-Feynman forces for quantum computationJuntao Lai, Yi Fan, Qiang Fu, et al.

Journal of Chemical Theory and Computation|October 23, 2024

Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer ArchitectureJuntao Lai, Bowen Kan, Yangjun Wu, et al.

Pageof 1