The progress of molecular modelling holds significant promise, thanks to advancements in computational software and hardware. Calculation methods are important to reduce the cost of using chemicals, ...

With improved model capabilities, Anthropic Opus 4.6 is an example, the same wave is now hitting science itself. If code is no longer the bottleneck—if generating, testing, and iterating on ...

Atomic-level simulations and electrochemical experiments reveal how charge centers called polarons form on semiconductor surfaces to activate green hydrogen production.

In the same way that ChatGPT understands human language, a new AI model developed by computational biologists captures the language of cells to accurately predict their activities. In the same way ...

The U.S. Department of Energy’s Princeton Plasma Physics Laboratory is developing a new project which aims to use AI to expedite fusion energy research. Shantenu Jha, the head of PPPL’s Computational ...

Typical workflow of computational cell lineage tracing. The workflow includes cell labeling, data acquisition, trajectory inference, and lineage reconstruction and visualization. Over the past two ...

When ultraviolet light hits ice—whether in Earth's polar regions or on distant planets—it triggers a cascade of chemical reactions that have puzzled scientists for decades. Now, researchers at the ...