Science, Space and Technology News 2024
A team of physicists at Trinity College Dublin has developed new quantum mechanics theorems that enhance the understanding of energy landscapes in quantum particles. Their research, aiding more accurate simulations, holds potential for advancing green technology materials.
An illustration of the exact energy landscape of the oxygen atom, which takes the form of a tiled valley, as described by the quantum mechanical theory. Credit: Dr David O’Regan, Trinity College Dublin.The exploration and understanding of molecules and materials using computer simulation is a mature and thriving research area. It has a long track record of success over several decades, and several materials in current use were developed with the help of such simulations.
Explaining how to visualize what the team discovered, Dr. David O’Regan says: “Imagine a steep-sided valley, where the ground is not curved but instead made up of angular tiles, like you might see in an old arcade game where the images were made using polygons. Dr O’Regan added: “The energy differences and slopes of this valley landscape underpin the stability of matter, interactions between materials and light, chemical reactions, and magnetic effects. Knowing what the entire valley surface looks like, including at high magnetization, is already helping us to build better tools for simulating complex materials, even when they are not magnetic.
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