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SUMMARY:Visualising energy landscapes using stochastic neighbour embedding
  - Ben Shires
DTSTART:20191125T163000Z
DTEND:20191125T170000Z
UID:TALK135082@talks.cam.ac.uk
CONTACT:Bingqing Cheng
DESCRIPTION:We present SHEAP - Stochastic Hyperspace Embedding And Project
 ion - a\ntool designed to process the structural data obtained from a mate
 rials\nstructure search\, in order to produce a visualisation of the energ
 y\nsurface being sampled. We have drawn inspiration from state-of-the-art\
 nalgorithms for dimensionality reduction of high-dimensional data\, such\n
 as t-SNE and UMAP. We illustrate the power of SHEAP through its\napplicati
 on to the model energy landscapes defined by systems of\nparticles interac
 ting via a simple Lennard-Jones pair potential.
LOCATION:Mott Seminar (531) room\, top floor of the Mott Building\, in the
  Cavendish Laboratory\, West Cambridge.
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