Please ensure you check the module availability box for each module outline, as not all modules will run in each academic year. Each module description relates to the year indicated in the module ...

Biomolecular dynamics simulations are crucial for life sciences, offering insights into molecular interactions. While classical molecular dynamics (MD) simulations are efficient, they lack chemical ...

We present an overview of the key ideas and skills necessary to begin implementing tensor network methods numerically, which is intended to facilitate the practical application of tensor network ...

When density functional theory is used to describe the electronic structure of periodic systems, the application of Bloch's theorem to the Kohn-Sham wavefunctions greatly facilitates the calculations.

A central goal of computational physics and chemistry is to predict material properties by using first-principles methods based on the fundamental laws of quantum mechanics. However, the high ...

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