Simulations are as critical as experiments now in materials discovery. At the atomic scale, quantum mechanics based simulations are frequently used in the computational search of novel functional ...

The nature of the bulk hydrated electron has been a challenge for both experiment and theory due to its short lifetime and high reactivity, and the need for a high-level of electronic structure theory ...

In classical physics, a vacuum is a total void—a true manifestation of nothingness. But quantum physics says that empty space isn’t really empty. Instead, it’s buzzing with “virtual” particles ...