Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

My group started working on hybrid DFT three years ago when we began our collaboration with the Park group, with whom we were trying to understand the properties of conducting metal-organic frameworks ...

A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

Despite rapid growth in research and development since their discovery at Drexel University in 2011, the promising two-dimensional materials MXenes face barriers to large-scale manufacturing and ...