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.

Undergraduate science labs were once pretty predictable—pulleys and circuits, rocks and minerals, titrations and unknowns, bacterial brews and pickled piglets. But today’s science lab student, in one ...

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 ...

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 ...