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 ...

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 ...

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