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    EUROPEAN CONGRESS AND EXHIBITION ON ADVANCED MATERIALS AND PROCESSES - EUROMAT 2021

    13–17 Sept 2021 Virtual Conference
    Virtual
    Europe/Vienna timezone
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    Session

    D7_Poster Session

    Not scheduled
    Virtual

    Virtual

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    1. 150. Analysis of Raman Spectra Signals Based on Molecular Fingerprints from DFT data
      Mr Milad Asgarpour Khansary (University of Limerick)
      D7. Integrated computational materials engineering - Interoperability, simulation platforms and applications
      Poster

      In cocrystalization-based processing of pharmaceuticals, Raman spectra is utilized as a standard tool for quality control. However, such analysis suffers from the lack of relevant tools for realtime analysis of spectra. Here we report an automation method to facilitate such analysis. For this purpose, we coupled the nonlinear multivariable functional series approximation with molecular...

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