Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures and ...

To sustain growth and prosperity, societies around the world require energy. Energy that needs to be produced, transported and dispatched with clean, efficient, safe, reliable, flexible and affordable ...

Multi-GPU benchmarks are done at the largest possible grid resolution with cubic domains, and either 2x1x1, 2x2x1 or 2x2x2 of these domains together. The (percentages in round brackets) are single-GPU ...