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CATEGORIES:Machine learning in Physics\, Chemistry and Materi
 als discussion group (MLDG)
SUMMARY:Selected applications of machine learning for mate
 rials modeling: structural characterization and vi
 sualization\, van der Waals interactions and X-ray
  spectroscopy - Patricia Hernández-León and Miguel
  A. Caro\, Aalto University
DTSTART;TZID=Europe/London:20210503T163000
DTEND;TZID=Europe/London:20210503T173000
UID:TALK159847AThttp://talks.cam.ac.uk
URL:http://talks.cam.ac.uk/talk/index/159847
DESCRIPTION:We will present some examples of recent work carri
 ed out in our group at Aalto University using mach
 ine learning techniques to study the structure and
  properties of materials. Patricia will present a 
 new approach to low-dimensional embedding based on
  combining data classification (clustering) with t
 raditional embedding techniques (multidimensional 
 scaling)\, enhanced with sparsification to handle 
 large databases. She will show an application of t
 he method to carbon-based materials. Miguel will t
 hen talk\, first\, about adding van der Waals supp
 ort to GAP force fields by learning the Hirshfeld 
 effective volumes\, a method that results in very 
 little overhead over a regular GAP calculation and
 \, second\, about predicting X-ray photoelectron s
 pectra from a multiscale model based on DFT and GW
  data\, all glued up with machine learning based r
 egression.\n\n\n
LOCATION:virtual ZOOM meeting ID: 263 591 6003\, Passcode: 
 000042\, https://us02web.zoom.us/j/2635916003?pwd=
 ZlBEQnRENGwxNmJGMENGMWxjak5nUT09
CONTACT:Bingqing Cheng 
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