Technique calculates 100 to 1,000 times more atoms than conventional methods
Friday, March 27, 2015 - 07:00
in Physics & Chemistry
Matter is composed of atoms, and its physical properties are determined by the complex interactions between atoms and electrons. Theoreticians use quantum mechanics to calculate the forces between atoms, and the behaviour of electrons in materials. Specifically, first-principles simulations are based on quantum mechanics, and are a powerful technique widely used to elucidate diverse properties of matter and materials at the atomic scale.