The Nanoscience Institute (NANO) belongs to the Italian Research Council (CNR), the main public research institution in Italy gathering over 100 institutes distributed along the entire country in all fields. CNR-NANO is devoted to frontier research in nanoscience and nanotechnology and counts about 200 research staff and associates over its two sites (Pisa and Modena).

The CNR-NANO team involved in BIG-MAP is leading in the development of first-principles methods, codes and applications of high performance (HPC) and high throughput (HTC) computing in materials research, and coordinates the MaX European Centre of Excellence for HPC in the materials domain. The team will focus on atomistic simulations of materials and interfaces and automated predictions of spectroscopies, exploiting the potential of extreme (pre)exascale HPC in battery materials research.

PI: prof. Elisa Molinari (

Co-PI (point contact): Dr. Deborah Prezzi (


MaX – Materials design At the eXascale:
12 APRIL 2021