Molecular dynamics simulations offer a detailed atomic-scale perspective of liquid interfaces, enabling researchers to probe structural and dynamical properties that govern the boundary between ...
Machine learning is rapidly transforming molecular dynamics simulations by enabling the construction of highly accurate interatomic potentials derived from high‐level quantum calculations. This ...
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 ...
Over the past decade, structural biology has been profoundly transformed by advances in computational power, algorithmic ...
Molecular switches are nanoscale devices that can reversibly change their state or conformation in response to external stimuli. These switches are typically individual molecules or molecular ...
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