Computational methods have revolutionised drug design by integrating molecular dynamics simulations with advanced free energy calculations. This approach allows researchers to predict binding ...

Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...

2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...

Design engineers can use AI-driven simulation to overcome bottlenecks and accelerate materials discovery with hybrid workflow approaches.

For decades, scientists assumed that order drives efficiency. Yet in the bustling machinery of mitochondria—the organelles that crank out adenosine triphosphate (ATP), the universal "energy currency" ...