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 ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

A tumor is more than its cancer cells. Immune cells, blood vessels and other surrounding tissue influence how a cancer grows and responds to treatment. Two tumors containing the same cell types can ...

In the same vein as weather forecast models that predict developing storms, researchers have now developed a method to predict the cell activity in tissues over time. The new software combines ...

Biological systems operate across interconnected spatial and temporal scales, from molecular reactions and intracellular ...

Disturbances to the gut microbiome contribute to health conditions like inflammatory bowel disease (IBD). To better understand how those microbes interact with each other and their environment, ...