Researchers at the University of British Columbia Okanagan have published a mathematical argument that, they say, rules out ...

Do We Live In a Simulation? Gauging whether or not we dwell inside someone else’s computer may come down to advanced AI ...

2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...

The performance of rechargeable batteries is governed by processes deep within their components. A fundamental understanding of electrochemistry, structure–property–performance relationships and the ...

Using the Frontier supercomputer at the Department of Energy's Oak Ridge National Laboratory, researchers from the Georgia Institute of Technology have performed the largest direct numerical ...

Researchers reveal new mechanisms governing the storage and the movement of sodium ions in hard carbon nanopore anodes.

For more than a decade, MIT Associate Professor Rafael Gómez-Bombarelli has used artificial intelligence to create new materials. As the technology ...

Data-analysis and modelling positions are already becoming obsolete, but hands-on experimentalists can breathe easy for now.

In a new study, researchers from the ARIES and their collaborators used computational models that simulate the behaviour of ...

Simulations created by the US Pentagon reveal the potential devastation a nuclear bomb detonated in space as Russia probes ...