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CHARISMA Webinar / DEC 2, 2022 / 11:00 CET

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Webinar on "Computational chemistry as the missing piece in the characterisation puzzle of biological mineralisation"

Date: 02.12.202202.12.2022
Organisers: EMMC related initiative CHARISMA
Venue:
Online

The CHARISMA H2020 project, an EMMC related initiative, organises the webinar on

"Computational chemistry as the missing piece in the characterisation puzzle of biological mineralisation"
DEC 2, 2022 / 11:00-12:00 CET / online

Prof. Dr. Frederik Tielens from Vrije Universiteit Brussel (VUB) will expand upon a study focusing on calcium oxalate and hydroxyapatite in the context of chemistry of life, materials chemistry and computational chemistry. The webinar attendees will have the opportunity to learn more about how to model a surface(s) of hydroxyapatite and analyse the physicochemical properties using the methods of quantum chemistry (periodic DFT).

The session will cover

  • Modelling of solids (Biological mineralization)

  • Frist principle computational techniques (DFT)

  • Calculation of vibrational spectra (IR and Raman)

Who should attend?

  • Physical Chemists

  • Nephrologists

  • Spectroscopists

  • Computational Chemists

More information!

Registration!

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