The role of fluctuations in the nucleation process

2025/03/26 by Pei‐Lin Kang, Deng, Yuanpeng, Xiangyang Xu +6 · 1 citation
Earth and Planetary Sciences · #nanoparticles nucleation surface interactions

paper · pdf · doi:10.48550/arxiv.2503.20649

Abstract

Data and code associated with the molecular dynamics simulations reported in the manuscript “The role of fluctuations in the nucleation process”. Code for training the NN-based committor model. Training data used in the final iteration of the NN-based committor training. Input files for the OPES+V_K simulations of LJ nucleation (LAMMPS + PLUMED). Molecular dynamics outputs from the final iteration of the OPES+V_K simulations: COLVAR files. Input files for the classical MD slab-growth model (LAMMPS). Code for analyzing order parameters and temperature profiles as a function of distance from the solid–liquid interface.

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• Committors without Descriptors

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