Microsoft has released open-source Quantum Development Kit tools for chemistry and error correction, with VS Code integration ...

Recent advances in nucleation dynamics and molecular simulations have considerably refined our understanding of phase transition mechanisms. At its core, nucleation involves the spontaneous formation ...

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 ...

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 ...

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 ...

One of the most frequently asked questions about quantum computers is a simple one: When will they be useful? If you talk to people in the field, you’ll generally get a response in the form of another ...

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 ...

Quantum systems can simulate molecular interactions at a level of fidelity that classical computers cannot achieve. They can ...

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 ...