The role of HPC in the discovery of new materials and processes for a sustainable society - Part I


21 Sept.			11:30 - 13:00



ENVIRONMENT & ENERGY
EMERGING MATERIALS AND TECHNOLOGIES FOR A SUSTAINABLE SOCIETY
TT.VI - Technical Multi-Track with Parallel SYMPOSIA
The role of HPC in the discovery of new materials and processes for a sustainable society - Part I
Co-organized with Polytechnic University of Turin, IIT Center for Sustainable Future Technologies - CSFT@POLITO, INRIM Chair: Francesca RISPLENDI - CV, Polytechnic University of Turin
The development of new materials and processes is critical for meeting the challenges of sustainability, including mitigating climate change, reducing waste, and improving energy efficiency. High Performance Computing (HPC) has emerged as a powerful tool for accelerating the discovery of new materials and processes by simulating and analysing the behaviour of materials at atomic and molecular scales, predicting their properties, and optimizing their performance. This workshop symposium brings together experts to share their knowledge and experiences in using HPC for materials discovery and process optimization. The topics covered will include but not limited to computational materials science, quantum simulations, machine learning, and data analytics. The objectives of this workshop symposium are to provide a platform for researchers and practitioners to exchange ideas, discuss the latest advances, and identify the challenges and opportunities in using HPC for sustainable materials discovery and process optimization. We hope this workshop symposium will contribute to the advancement of the field and help accelerate the development of new materials and processes for a sustainable society. This symposium is connected to the PNRR initiative related to the “Centro Nazionale di Ricerca HPC, Big data e Quantum Computing” and aims to promote the development of scientific and technological innovation in Italy with the support of High-Performance Computing. It is expected that the Centre will promote the development of advanced technologies in strategic sectors such as health, environment, energy, and manufacturing industry.
*The symposium is part of the Workshop WS.II*
TT.VI.B.1 WS.II.6.1	Stefano FABRIS - CV CNR-IOM Developments and applications of Materials and Molecular Sciences in within the National Center for HPC, Big Data and Quantum Computing
TT.VI.B.2 WS.II.6.2	Andrea FERRETTI - CV CNR - nano Modena Designing materials with HPC, a story of hardware, software, and theory
TT.VI.B.3 WS.II.6.3	Giacomo PRAMPOLINI - CV Institute of Chemistry of Organo Metallic Compounds – Pisa Unit (ICCOM-PI) From Ab Initio Potential Energy Surfaces to in silico Material Design: Integrating QM Accuracy with HPC Effectiveness
TT.VI.B.4 WS.II.6.4	Cristiana DI VALENTIN - CV University of Milano-Bicocca - NanoQlab Modeling complex nanosystems for drug delivery, targeted therapy and imaging