Computer simulations are at the core of our research. Thus, we are excited to receive an Innovative and Novel Computational Impact on Theory and Experiment (INCITE) award 2019. This gives us access to some of the most powerful U.S. supercomputers located at the Argonne and Oak Ridge National Laboratories.
We will perform quantum Monte-Carlo simulations that provide high-accuracy data for the adsorption of water on graphene. This data will have applications in water purification, desalinisation and drug delivery. Our 1,250,000 node-hours project lead by Dario Alfè is one of the six allocation highlights of INCITE 2019. “The breakthroughs these projects could affect have the potential to fundamentally alter the scientific landscape as we know it.” said Michael E. Papka, director of the Argonne Leadership Computing Facility (ALCF), DOE Office of Science User Facility.
INCITE Grant Awarded
