Wafer Scale Engine Unlocks 1.1 Million Simulations Steps/Sec, Enabling Scientists to Perform Two Years’ Worth of GPU-Based Simulations in a Single Day on Cerebras SUNNYVALE, Calif.--(BUSINESS ...

CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview ...

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 ...

A web platform uses a chatbot to enable any chemist -- including undergraduate chemistry majors -- to configure and execute complex quantum mechanical simulations through chatting. Advanced ...

Over the past decade, structural biology has been profoundly transformed by advances in computational power, algorithmic ...

Water behaves in remarkable ways when heated and pressurized beyond its critical point. Under these extreme conditions, known as supercritical water, it no longer acts like an ordinary liquid. Instead ...

As the global climate crisis deepens, researchers are turning to technologies capable of delivering fundamental change. Quantum computing, long considered largely theoretical, is now being explored as ...