Born-Oppenheimer Molecular Dynamics is a computational method that allows for the simulation of molecular motion by decoupling nuclear and electronic degrees of freedom. This approach is based on the Born-Oppenheimer approximation, which simplifies the calculation of molecular interactions by treating nuclei as fixed while electrons adjust instantaneously to changes in nuclear positions. This method enables efficient exploration of potential energy surfaces and dynamic behavior of molecules, crucial for understanding chemical reactions and material properties.
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