Some recent research

Here are some recent articles from the PDC newsletter about research using the Dardel system at PDC.

• Scale-Bridging Modelling and Designing New Materials in a “Virtual Lab”  (November 2024)

• MultiPsi: Quantum Chemistry on HPC for Photochemistry and Inorganic Chemistry  (June 2024)

• Porting a Quantum Computer Simulator to AMD GPUs on Dardel  (June 2024)

• VeloxChem: Electron Repulsion Integrals and Fock Matrix Formation on GPUs  (June 2024)

• VeloxChem: Efficient Numerical Integration for Density Functional Theory  (December 2023)

• Artificial Intelligence Frameworks on the New Dardel GPU Partition  (June 2023)