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cs.DC2026
Communication Offloading on SmartNIC DPUs: A Quantitative Approach
Jacob Wahlgren, Andong Hu, Roger Pearce +2
SmartNIC Data Processing Units (DPUs) offer a promising solution for saving high-end CPU resources by offloading tasks to programmable cores near the network interface. In this wor…
cs.DC2026
Making Room for AI: Multi-GPU Molecular Dynamics with Deep Potentials in GROMACS
Luca Pennati, Andong Hu, Ivy Peng +2
GROMACS is a de-facto standard for classical Molecular Dynamics (MD). The rise of AI-driven interatomic potentials that pursue near-quantum accuracy at MD throughput now poses a si…
cs.DC2026
Enabling AI Deep Potentials for Ab Initio-quality Molecular Dynamics Simulations in GROMACS
Andong Hu, Luca Pennati, Stefano Markidis +1
State-of-the-art AI deep potentials provide ab initio-quality results, but at a fraction of the computational cost of first-principles quantum mechanical calculations, such as dens…