GitHub

Extracting DFT matrices as an output

I am trying to extract the AO matrices involved in SCF calculations (Kohn-Sham matrix, core Hamiltonian, density matrix, overlap matrix) from a CP2K run. I attached my input file and a CIF file as an ...
GitHub

AlphaSparseTensor: Discovering Faster Sparse Matrix Multiplication Algorithms on GPU for LLM inference

As Transformer models continue to grow in size and complexity, numerous high-fidelity pruning methods have been proposed to mitigate the increasing parameter count. However, transforming these ...