More stable and efficient materials for solar cells are needed in the green transition. So-called halide perovskites are highlighted as a promising alternative to today's silicon materials.

Studying and designing novel materials is a central application of quantum mechanics. Chemists, materials scientists, and physicists focus on subtle interactions in quantum materials and to uncover ...

Sandia National Laboratories scientist Rémi Dingreville has co-developed a way to speed up virtually any kind of computer simulation, a ubiquitous research tool across science and industry.

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

Researchers at the University of British Columbia Okanagan have published a mathematical argument that, they say, rules out the possibility that this universe is a computer simulation. The claim, made ...

It's a plot device beloved by science fiction: our entire universe might be a simulation running on some advanced civilization's supercomputer. But new research from UBC Okanagan has mathematically ...