The exascale- class Frontier supercomputer set a new standard for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than previous simulations of ...

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 ...

This research area employs molecular dynamics (MD) simulations to unravel the intricate behaviour of molecules at the juncture between vapour and liquid phases. MD simulations provide atomistic ...

Quantum simulation enables scientists to simulate and study complex systems that are challenging or even impossible using classical computers across various fields, including financial modeling, ...

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 ...

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 ...

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.

A pore smaller than one nanometer reads peptide sequences amino acid by amino acid, pinpointing single-site Alzheimer's ...

Quantum simulations are pushing physicists to rethink what it means for an atom to move. In new work on a quantum computer, ...