News & Results

Please Check LinkedIn for the recent news:

 https://www.linkedin.com/in/frederik-tielens-0348a04/

See you in Paris for the 25èmes Confrontations Clinico-Biologiques sur la Lithiase Urinaire - October 12th and 13th 2022! 

See you in Evora!

November 2020 - Special Issue: Open to accept new contributions


www.mdpi.com/journal/nanomaterials/special_issues/Theoretical_Nanomaterials 


Opening PhD position

http://psi-k.net/jobs/phd-position-in-modeling-of-solid-liquid-interface/

Looking for Prospective postdocs and PhD students who are willing to apply for a European or Belgian fellowships


Conferences - Visits


Invited talk at the 24èmes Confrontations Clinico-Biologiques sur la Lithiase Urinaire  (15 Oct. 2020), Tenon Hospital Paris.

Invited talk at e-Mat&Sc 24 September 2020 (Brazil) - on-line - www.youtube.com/watch?v=GY5-dOY2-eE&t=1440s 

Seminar at the Université the Lorraine in Metz - 18 September 2020

Invited talk at 28th Conference of the Condensed Matter Division (CMD28), 29th August - on-line.

Invited talk at the 24èmes Confrontations Clinico-Biologiques sur la Lithiase Urinaire  (22 Oct. 2019), Tenon Hospital Paris.

Keynote at CRF-2, https://www.biw.kuleuven.be/m2s/cok/crf/  (14 - 16 October 2019), Blankenberge. 

Oral presentation at THE CURRENT TOPICS IN THEORETICAL CHEMISTRY, CTTC  29 June - 5 July 2019, Quito Ecuador.

On tour in Xi'an (China), visit of NPU and NU universities 4 - 8 June 1019.

Keynote at Or-Nana 2019,  http://or-nano.insp.upmc.fr/rennes-2019.html  (13-15 March 2019), Rennes.

Invited talk at the 23èmes Confrontations Clinico-Biologiques sur la Lithiase Urinaire  (19 Oct. 2018), Tenon Hospital Paris.

Invited talk  at the 256nd ACS meeting in Boston (August 2018) on the characterization of amorphous silica supported transition metal oxide catalysts.


Projects

Our MSCA proposal on Silica just received the seal of Excellence from the European Commission. Thank you Maciej Gierada! 

Highlighted Papers

The vibrational signatures of the calcium oxalate polyhydrates are investigated using a combination of Density Functional Theory‐Dispersion corrected, Fourier Transform‐ Raman and ‐Infrared (IR) spectroscopies. Most vibrational bands were assigned and the theoretical predictions were compared with in‐house and other experimental data, for both, IR and Raman spectroscopies. Such an approach allowed a more accurate analysis of vibrational spectra helping in the completion of the band assignments of the vibrational bands of the mono, di, and tri hydrate calcium oxalate (COM, COD, and COT). Particular attention has been paid to the degree of hydration of COD, the low Raman wavenumbers, and the presence of oxalic acid in natural calcium oxalate polyhydrates. The obtained results are expected to be supportive in the detection of the different polyhydrates in natural samples, such as in kidney stones. 

 Talk given at the 252nd ACS meeting in Philadelphia (August 2016)

Characterization of amorphous Silica Supported Transition Metal Oxide Catalysts and Materials Using DFT computational Methods (CATL38)

https://presentations.acs.org/common/media- player.aspx/Fall2016/CATL/CATL014b/2517479