USING LAMMPS AND PYMOL TO MODEL BIMETALLIC CLUSTERS
Abstract
In recent years, bimetallic clusters have gained prominence in materials science due to their unique catalytic, electronic, and optical properties. To accurately model these systems, computational tools like LAMMPS and PyMOL are invaluable. LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) excels in molecular dynamics simulations, providing insights into the dynamics and interactions of atoms within bimetallic clusters. PyMOL, a powerful molecular visualization tool, aids in the analysis and interpretation of these simulations by creating detailed 3D models. This article explores the capabilities of LAMMPS and PyMOL, detailing their use in modeling bimetallic clusters, and provides a step-by-step guide on integrating these tools to achieve comprehensive simulations and visualizations.
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