Molecular Dynamics Simulation is a computational method used to study the physical movements of atoms and molecules, allowing researchers to predict the time-dependent evolution of a molecular system. It is instrumental in understanding complex biological processes, material properties, and chemical reactions at the atomic level, providing insights that are often inaccessible through experimental techniques alone.

Molecular Dynamics Simulation

computational method

physical movements of atoms

Physical movements of molecules

time-dependent evolution

molecular system

complex biological processes

Material properties are the characteristics that define the behavior and performance of a material under various conditions, influencing its suitability for specific applications. These properties are determined by the material's composition, structure, and the interactions at the atomic or molecular level, and they are critical in fields such as engineering, manufacturing, and materials science.

material properties

Chemical reactions involve the transformation of substances through the breaking and forming of chemical bonds, resulting in the conversion of reactants into products. These reactions are governed by the principles of thermodynamics and kinetics, which dictate the feasibility and rate of these transformations.

chemical reactions

atomic level

Experimental techniques are ways scientists use to try things out and see what happens, like mixing colors to make new ones. They help us learn about things by testing ideas and seeing if they work or not.

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