What are the Advantages of Accelerated Molecular Dynamics (aMD)?
Accelerated Molecular Dynamics (aMD) modifies the potential energy landscape to reduce the height of energy barriers, making it easier for the system to transition between states. This method is particularly advantageous for studying long-timescale processes in catalysis, such as the diffusion of reactants and the formation of reaction intermediates. By enhancing the sampling efficiency, aMD can provide insights into the dynamic behavior of catalytic systems that would be challenging to obtain using traditional MD simulations.
