Exploring the potential of quantum computing for multi-scale material modelling

RWTH Publications (RWTH Aachen)

Abstract

Simulating experiments instead of performing them physically reduces the cost of developing new products or construction methods. Companies and academic institutions rely on these material modelling and simulation methods to provide accurate predictions of material behaviour, which are essential for optimising structure designs, additive manufacturing processes, safety aspects, and more. However, these simulations are computationally expensive and often push modern supercomputing to its limits. Quantum computers are renowned for overcoming complexity barriers, and could deliver the performance enhancement required for material simulation and modelling to meet current demands. This thesis will review the relevant literature and analyse the potential of quantum computing in material simulation, with the aim of providing an understanding of near-term and future applications. The analysis concludes that, in the near term, options are not capable of matching classical simulations in scale, but theoretical performance improvements with post-NISQ-era hardware are possible.

Authors 1

1. Marc Simon Milas corresponding Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen