Demonstrating the Transferability and the Descriptive Power of Sketch-Map

Increasingly, it is recognized that new automated forms of analysis are required to understand the high-dimensional output obtained from atomistic simulations. Recently, we introduced a new dimensionality reduction algorithm, sketch-map, that was designed specifically to work with data from molecula...

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Bibliographic Details
Main Authors: Ceriotti, M, Tribello, G, Parrinello, M
Format: Journal article
Language:English
Published: 2013

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