Author

Zhen Li

3 papers indexed here

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Preprint Sep 2026

Predicting energy and structural response to force correction in molecular dynamics

We predict how force correction changes energy exchange and structural statistics by measuring leading response coefficients on shared reference trajectories. Residual power and the displacement virial distinguish the transfer of energy from the change in restoring forces, including intermittent reference updates. Inde...

Peng Kang, Da Wan, Shu-Lin Bai et al. · 0 citations

Aug 2026

Deep Reinforcement Learning-Guided Design of Broadband Electromagnetic Wave Absorbing Coatings

Artificial intelligence-assisted design of electromagnetic wave absorbing coatings is often restricted to geometry or topology optimization within fixed materials. Here, we present a modular particle swarm optimization−proximal policy optimization (PSO−PPO) framework for radar-absorbing metastructures that combines a...

Si-Rui Fan, Da Wan, Q. Zou et al. · ACS Materials Letters · 0 citations

Preprint Sep 2026

The energetics of force errors in machine-learned molecular dynamics

The framework connects force tolerances to reference-energy transfer, providing a physical basis for potential assessment and adaptive reference allocation, and establishes a directional residual-work coefficient combining directional curvature mismatch with the spatial distribution of the residual response.

Peng Kang, Da Wan, Shu-Lin Bai et al. · 1 citation