Computing interactivity

An international team led by chemists at Leiden University in The Netherlands have demonstrated that computers can now be used to make accurate predictions of the reactions of hydrogen molecules with surfaces. The team has developed a new method for modeling what happens when hydrogen molecules separate on a copper surface. The researchers suggest that the way is now open for calculating the interaction between more complex molecules and surfaces. Understanding the interaction of hydrogen with a metal surface is an important aspect of developing hydrogen storage materials for future "clean" power devices, such as fuel cells.