Dataset for "The relevance of structural variability in the time-domain for computational reflection anisotropy spectroscopy at solid-liquid interfaces"

Molecular dynamics (MD) trajectories from CP2k used in the article "The relevance of structural variability in the time-domain for computational reflection anisotropy spectroscopy at solid-liquid interfaces", published in Journal of Physics: Condensed Matter.本数据集为发表于《Journal of Physics: Condensed Matter》（《凝聚态物理杂志》）的论文《固液界面计算反射各向异性光谱的时域结构相关性》中所使用的、源自CP2k软件的分子动力学（MD）轨迹。