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Showing 1 to 1 of 1 for “"Diffusive Molecular Dynamics"”.
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A Computational Framework for Long-Term Atomistic Analysis of Solute Diffusion in Nanomaterials
Diffusive Molecular Dynamics (DMD) is a class of recently developed computational methods for the simulation of long-term mass transport with a full atomic fidelity. Its basic idea is to couple a discrete kinetic model for the evolution of mass transport process with a non-equilibrium …