As the demand for smaller, faster, more energy-efficient, and more durable products increases, engineers are finding that they are reaching the physical limits of the materials they work with. As a result, the next generation of materials must be designed for purpose, rather than vice versa. Adopting a virtual approach can allow researchers and engineers to gain a deeper understanding of the fundamental interactions that underlie materials properties, allowing a new generation of "bespoke" materials coming to the fore.