In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in understanding and developing (electro)chemical processes.

A new quantum-inspired algorithm is reshaping how scientists approach some of the most complex materials known, enabling ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Computational modelling, machine learning, and broader artificial (AI) intelligence approaches are now key approaches used to understanding and predicting ...

A team of physicists has developed a groundbreaking method for detecting congestive heart failure with greater ease and precision than previously thought possible. This multidisciplinary study, ...

The transition between wakefulness and states of reduced consciousness, whether pharmacologically induced via anesthesia or pathologically necessitated by ...

Computational chemistry has its roots in the early attempts by theoretical physicists, beginning in 1928, to solve the Schrödinger equation (see Box 2.1) using hand-cranked calculating machines. These ...

In materials science, if you can understand the "texture" of a material—how its internal patterns form and shift—you can begin to design how it behaves. That's the focus of the work of Zhenglu Li, ...

Intrinsically disordered proteins have no single structure, making them challenging for traditional structural biology ...

The University of Birmingham is building the future of computational social science - answering the real questions of society.