3 papers
physics.comp-ph2026
Data-Driven Spectral Prediction for Accelerating Large-Scale Electronic Structure Calculations
Abhiram Badrinarayanan, Davor Davidovic, Edoardo Di Napoli +4
Simulating large molecular systems comprising thousands of atoms requires highly scalable methodologies. While modern Density Functional Theory (DFT) codes exhibit linear scaling,…
cs.DC2023
Advancing the distributed Multi-GPU ChASE library through algorithm optimization and NCCL library
Xinzhe Wu, Edoardo Di Napoli
As supercomputers become larger with powerful Graphics Processing Unit (GPU), traditional direct eigensolvers struggle to keep up with the hardware evolution and scale efficiently…
cs.DC2022
ChASE -- A Distributed Hybrid CPU-GPU Eigensolver for Large-scale Hermitian Eigenvalue Problems
Xinzhe Wu, Davor Davidovic, Sebastian Achilles +1
As modern massively parallel clusters are getting larger with beefier compute nodes, traditional parallel eigensolvers, such as direct solvers, struggle keeping the pace with the h…