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Zhen Huang
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2026 / Manuscript in preparation

GPU Implementation and Performance Optimization of the Polarizable Gaussian Multipole Model in AMBER

Zhen Huang, et al.

In preparation

GPU implementation and performance optimization of pGM in AMBER. Manuscript in preparation.

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Selected papers

A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic DensitiesDEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and ValidationIsotropic Periodic Sum for Polarizable Gaussian Multipole ModelPerformance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics SimulationsOptimal Scheme to Achieve Energy Conservation in Induced Dipole Models
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