Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

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 ...

U.S. scientists have discovered a hidden molecular “switch” that herpes viruses rely on to invade cells. By combining AI, ...

Researchers present BioEmu – a new AI model that rapidly and accurately predicts the full range of shapes a protein can adopt, offering a faster, cheaper alternative to traditional molecular ...

Shown here is an Illustration of predicted binding modes between a large, flexible ligand and its protein receptor, depicting the dynamics influencing the strength of the molecular interactions. By ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

Respiratory supercomplex formation relieves molecular strain of mitochondrial membranes and reshapes global protein motions, linking membrane reorganization to respiratory function.

Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics through motion experiments, and earth science through field observations. That ...

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 ...

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