CHARISMA Webinar: Computational chemistry as the missing piece in the characterisation puzzle of biological mineralisation
Date and time: 2 December 2022 / 11:00am — 12:00pm (CET)
Online via GoToWebinar
About the webinar
In this webinar, 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
About Frederik Tielens
Frederik Tielens (Brussels, 1974) graduated in Chemistry at the Free University of Brussels, Belgium (1996) and earned his PhD degree in Theoretical Chemistry with cum laude at the Free University of Brussels, Belgium (2000). His doctoral work on the study of adsorption and catalytic properties of zeolites was awarded the Solvay Prize and the second prize of the prestigious international DSM contest. After a post doc in collaboration with ExxonMobil Research he then moved to industry and worked for Altachem and ABSS. In November 2003 he reintegrated university. During that period he obtained a Marie Curie Post Doc grant at the Universitat Jaume I (Spain), and was postdoctoral researcher at the Université Pierre et Marie Curie (UPMC, Paris, France) in collaboration with Yara, where he worked on the reactivity of metal and metal oxide catalysts. In September 2006 he was assigned contractual assistant professor at the UPMC. From 2007 - 2013 he was assistant professor in charge of theoretical chemistry at Surface Reactivity Laboratory (UPMC). In January 2013 he joined the Laboratory of Condensed Matter of Paris (UPMC).
Since September 2017 he is appointed professor at the Vrije Universiteit Brussel and leads the group of materials modelling, and became Maître de Conferences "hors classe" of the Sorbonne University. He specializes in three families of materials: Silica, SAMs/noble metals, and biocalcifications.
Frederik Tielens has authored over 160 peer reviewed scientific publications.