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.

Computational models are mathematical models used to numerically study the behaviour of complex systems by means of a computer simulation. A computational model can be used to make predictions of the ...

CoCoGraph uses a diffusion model, a technique common in image generation, to generate realistic molecules for therapeutics ...

Chemists and computer scientists tapped AI to find new disinfectants to combat the growing threat of dangerous "superbugs." ...