Modelling and simulation encompass a suite of methodologies for constructing abstract or mathematical representations of complex systems and executing them on computational platforms to predict ...

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

Theory, computation, and simulation are foundational to modern energy research. Theoretical understanding reveals why materials and systems behave as they do, predicting performance before experiments ...

SimScale, an AI-native cloud engineering simulation platform, has partnered with AI Engineering GmbH to integrate the Pamics solver into its ecosystem, delivering groundbreaking advancements in fluid ...

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

Computational analysis using rigidity-theory indicates that activation of the human adenosine A 2A receptor (shown here) is regulated by long-range allosteric communication pathways (highlighted in ...