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Longkun Xu

3 results in Authors: Longkun Xu

Materials Science

A multiple-fidelity Method for Accurate Simulation of MoS 2 Properties Using JAX-ReaxFF and Neural Network Potentials

Kehan Wang, Longkun Xu, Wei Shao, Haishun Jin, Qiang Wang, Ming Ma

Version 1 posted 25 October 2023

325

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Theoretical and Computational Chemistry

TADF-GEN: An Iterative and Self-improving Method with Long-term Memory and Dynamic Similarity Weight for Generating Thermally Activated Delayed Fluorescence (TADF) Molecules

Mingwei Ge, Longkun Xu, Wei Shao, Haishun Jin, Mengxia Liu, Qiang Wang

Version 1 posted 10 October 2024

587

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Theoretical and Computational Chemistry

Data Efficient and Stability Indicated Sampling for Developing Reactive Machine Learning Potential to Achieve Ultra-long Simulation in Lithium Metal Batteries

Longkun Xu, Wei Shao, Haishun Jin, Qiang Wang

Version 2 posted 16 August 2023

572

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