Atomic simulation serves as an indispensable microscope for modern science, bridging the gap between theoretical predictions and experimental results. However, the field has historically been ...

Continuous downscaling of the critical dimensions in semiconductor devices is the cornerstone of technological revolution. As the technology nodes keep shrinking, innovations in fabrication ...

For almost as long as Lawrence Livermore has existed, scientists have been experimenting with materials to learn what happens to them under high pressure. In the brief instant of a high-explosive ...

On target A new method for precisely moving columns of individual atoms within a material could give rise to exotic quantum ...

Nearly four decades ago, Richard Feynman gave a visionary lecture, “Simulating Physics with Computers,” in which he emphasized the impossible complexity of simulating a quantum mechanical system using ...

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

Researchers at Carnegie Institution for Science and Nanjing University published a study predicting that carbon and hydrogen ...