Tag: ab initio molecular dynamics

Researchers have unveiled an Optimize-to-Optimize machine-learning workflow that uses rules distilled from 275 stable low-entropy chloride double perovskites to guide ...

A new computational study shows that the complex hydride K2NiH6 can store hydrogen densely and release it near room temperature ...

Open-access scholarly publisher MDPI has named Professor Ursula Röthlisberger of the École Polytechnique Fédérale de Lausanne (EPFL) as the recipient ...