A view inside the trapped-ion quantum computer that carried out a first-of-its-kind simulation of molecular chemistry. A single atom has performed the first full quantum simulations of how certain ...

The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the difference? Researchers are finding out. How molten carbon crystallizes into ...

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 ...

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 ...

Researchers test state-of-the-art models on diverse RNA structures, opening doors for RNA-based therapies and drug design Ribonucleic acid (RNA) is one of life’s most versatile molecules, with roles ...

Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics ...

Molecular dynamics simulations and free energy calculations of the self-assembly process of carbon nanotube porins reveal ...

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 ...