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Quantum Transport Simulations at the Exascale and Beyond 🚀
Python interface to MPI, NCCL, RCCL and GPU aware communication libraries
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Updated Feb 28, 2025
Official code implementation of "Learning the Electronic Hamiltonian of Large Atomic Structures" (ICML 2025)
Arrow Matrix Decomposition - Communication-Efficient Distributed Sparse Matrix Multiplication
NPBench - A Benchmarking Suite for High-Performance NumPy