Ericas: Enabling Insights into Ab Initio Molecular Dynamics Simulations

Kyle Wm Hall,Edelsys Codorniu-Hernandez,Peter G. Kusalik,Sheelagh Carpendale

2015 IEEE Pacific Visualization Symposium (PacificVis)（2015）

引用 1|浏览37

关键词

chemistry computing,computer animation,data visualisation,molecular dynamics method,molecular electronic states,oxygen compounds,AIMD simulations,ERICA,Electronic-and-Radially-focused Instantaneous Coordinate Animations,ab-initio molecular dynamics simulations,electronic structure data,hydroxyl radical chemistry,nuclear coordinates,visualization approach

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