Simulating how atoms and molecules move over time is a central challenge in computational chemistry and materials science.

Antimicrobial resistance (AMR) is an urgent and growing concern in global health, threatening the effectiveness of antibiotics and the management of ...

aNovo Nordisk Foundation Center for Protein Research, Faculty of Health and Medical Sciences, University of Copenhagen, ...

Abstract: Application of machine learning (ML) approaches has recently expanded within a wide range of domains, including semiconductor devices. Their strong potential resulted in increasing number of ...