Dr. Ahai Chen
Host beneficiary: Maison de la Simulation, CEA-Saclay, France
Co-affiliation: Université Paris-Sud, France; École Normale Supérieure, Paris, France
Google Scholar: https://scholar.google.com/citations?hl=en&user=KIj56rMAAAAJ
This project is mainly for the optimisation of quantum molecular simulation with Smolyak scheme. It involves the implementation of MPI and MPI/openMP hybrid for the improvement of the code efficiency.
The code is generally applicatable for normal quantum molecular simulation. The first direct application of the code in the project will be the simulation of Clathrate hydrate.