Jan 1, 2026
Isotropic Periodic Sum for Learning Classical Interactions with Finite-Cutoff Graph Neural Networks
Isotropic periodic sum methods for learning classical interactions with finite-cutoff graph neural networks. Manuscript in preparation.
Zhen Huang / Research
In Preparation.
Jan 1, 2026
GPU Implementation and Performance Optimization of the Polarizable Gaussian Multipole Model in AMBER
GPU implementation and performance optimization of pGM in AMBER. Manuscript in preparation.