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SUMMARY:Automated Structure Elucidation using Transformer Models
DTSTART:20240305T153000
DTEND:20240305T163000
DTSTAMP:20260408T035045Z
UID:2bdaa894e9e970cc2e10101cbd304a6b8ef5e4fff08d79f185901e91
CATEGORIES:Conferences - Seminars
DESCRIPTION:Marvin is a PhD student jointly at IBM Research and the Univer
 sity of Zürich. His research focusses on multimodal language models appli
 ed to analytical chemistry. Before joining IBM he completed a Masters in C
 hemistry at Imperial College London.\nStructure elucidation is integral i
 n the day-to-day operation of any organic chemistry laboratory\, providing
  crucial insights into the composition and purity of diverse substances.
  This can be achieved through a number of spectroscopic measurements\, su
 ch as Nuclear Magnetic Resonance (NMR) or Infrared (IR) spectroscopy.
  While the acquisition of the spectra has been largely automated\, the an
 alysis of them is not straightforward making analysis of spectra\, parti
 cularly in large quantities\, a time-consuming and tedious undertaking. T
 o this end we introduce transformer models that are capable of predicting 
 the correct structure from IR spectra and NMR spectra.
LOCATION:CH G1 495 https://plan.epfl.ch/?room==CH%20G1%20495 https://epfl.
 zoom.us/j/68447908297?pwd=OU5JUGJUSUhZc0ZNYjQ2WENvYlNRdz09
STATUS:CONFIRMED
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