Semiconductors are central to modern technology. They are used in computer chips, solar cells, sensors, LEDs and ...

NUS computational scientists have developed a new version of the density functional theory (DFT) to study nanoscale devices. Electronic devices are getting smaller and incorporating greater ...

Scientists from Bayreuth have developed a new method for studying liquid and soft matter using artificial intelligence. In a study now published in the Proceedings of the National Academy of Sciences, ...

Density functional theory (DFT) is a widely used computational method for carrying out quantum calculations in chemistry, materials science, and biology research. Despite its enormous popularity and ...