Materials and Modelling

Armed with the right algorithms and understanding, we can use a computer to model, simulate and design new and improved materials.

Quantum computers are built from materials, which themselves are quantum in nature. Development in quantum computer hardware hinges strongly on our understanding and control of materials at the nanoscale. The use of modelling – whether quantum, classical or a hybrid of the two – is a powerful avenue to help understand and increase our control.

Quantum computation is expected to have a huge impact in materials science. Quantum models might be used to define what material properties are best suited to new, extreme and demanding applications, or what molecular structure will best trigger an immune response.

The Quantum Technologies Future Science Platform will focus on models and algorithms for understanding quantum computers, as well as quantum algorithms for designing new materials and the experimental implementation of these computed predictions.