Search Results for author: Joshua Mirth

Found 2 papers, 2 papers with code

Representations of Energy Landscapes by Sublevelset Persistent Homology: An Example With n-Alkanes

1 code implementation2 Nov 2020 Joshua Mirth, Yanqin Zhai, Johnathan Bush, Enrique G Alvarado, Howie Jordan, Mark Heim, Bala Krishnamoorthy, Markus Pflaum, Aurora Clark, Y Z, Henry Adams

Encoding the complex features of an energy landscape is a challenging task, and often chemists pursue the most salient features (minima and barriers) along a highly reduced space, i. e. 2- or 3-dimensions.

Chemical Physics Mathematical Physics Algebraic Topology Mathematical Physics

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