Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...
The authors present an important multi-scale computational platform, which aims to automate the workflow for coarse-grained simulations of biomolecules in the framework of the popular MARTINI model.
UNC researchers discovered how a key step in cell signaling works by showing exactly how G proteins detach from receptors ...
Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl ...
Since the interaction between the abrasive grain, workpiece and nanofluids on the minimum quantity lubrication (MQL) grinding interface are difficult to observe directly, there is still lack of direct ...
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 ...
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