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 ...

An international team of researchers has developed a new method for parameterizing machine-learning interatomic potentials (MLIP) to simulate magnetic materials, making the prediction of their ...

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.

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 ...

Researchers at the quantum computing firm Quantinuum used a new Helios-1 quantum computer to simulate a mathematical model that has long been used to study superconductivity. These simulations are not ...