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 ...

Researchers from the Department of Energy's Quantum Science Center (QSC) headquartered at Oak Ridge National Laboratory (ORNL) have achieved a significant milestone by demonstrating the first digital ...

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.

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.

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Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental ...

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 ...

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 ...

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 ...