Concept
A simulation timestep is the discrete time interval at which a simulation model's state is updated, crucial for ensuring accuracy and stability in numerical simulations. The choice of timestep can significantly affect the fidelity and computational cost of the simulation, requiring a balance between precision and performance.
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Concept
Molecular dynamics is a computer simulation method for studying the physical movements of atoms and molecules, allowing scientists to predict the time-dependent evolution of a molecular system. By solving Newton's equations of motion, it provides insights into the structural and dynamic properties of materials at the atomic level, which is crucial for fields like materials science, chemistry, and biology.
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