Search Results for author: Johnathan Bush

Found 3 papers, 2 papers with code

Toroidal Coordinates: Decorrelating Circular Coordinates With Lattice Reduction

no code implementations14 Dec 2022 Luis Scoccola, Hitesh Gakhar, Johnathan Bush, Nikolas Schonsheck, Tatum Rask, Ling Zhou, Jose A. Perea

The circular coordinates algorithm of de Silva, Morozov, and Vejdemo-Johansson takes as input a dataset together with a cohomology class representing a $1$-dimensional hole in the data; the output is a map from the data into the circle that captures this hole, and that is of minimum energy in a suitable sense.

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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