Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to be seen. Ryan ...

Cadmium chalcogenides (CdX, where X represents sulfur, selenium, and tellurium) are a significant class of semiconductor materials. These materials have garnered substantial research interest due to ...

Living organisms, ecosystems and the planet Earth are, from a physics point of view, examples of extraordinarily large and complex systems that are not in thermal equilibrium. To physically describe ...

NUS scientists have predicted a new type of nonequilibrium effects that could generally exist in nanoscale electronic devices, and successfully explained a recent puzzling experiment using the effects ...

Researchers from the National University of Singapore (NUS) have developed a computation-guided strategy to produce urea more efficiently from carbon dioxide and nitrate. By combining large language ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...