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.

The software platform AiiDAlab was originally developed to simplify computer simulations in materials research. A team of ...

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 ...

Advancements in Machine Learning for Materials Science Machine learning (ML) is really shaking things up in materials ...

Australian quantum software company Q-CTRL says it has achieved a major milestone in commercial quantum computing after demonstrating what it describes as the first example of “practical quantum ...

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.

A new AI framework called THOR is transforming how scientists calculate the behavior of atoms inside materials. Instead of relying on slow simulations that take weeks of supercomputer time, the system ...

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