Abstract

We aim at exploring the potential of quantum computation to solve practical problems that are currently targeted by “traditional” high performance computing (HPC). Along the way, we will develop theoretical frameworks and algorithmic strategies. We propose computational research activities that will advance the application of quantum computers to selected materials/molecular properties: (1) Band structure of solids; (2) Molecular electronic/vibronic properties; (3) Free energies and phase transitions.

Metadata

publication

Univ. of Southern California, Los Angeles, CA (United States), 2024

year

2024

publication date

2024/1/12

authors

Rosa Di Felice, Anna Krylov, Itay Hen, Amir Kalev, Marco Fornari, Marco Buongiorno Nardelli

link

https://www.osti.gov/biblio/2281191

resource_link

https://www.osti.gov/servlets/purl/2281191

issue

DOE-USC-19432

publisher

Univ. of Southern California, Los Angeles, CA (United States)