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Persoonlijk profiel

Quote

"It's fascinating to be able to take a peek at chemical phenomena at the mesoscale. Thanks to novel computational models and sheer computational power we are for the first time able to do so."

Research profile

Ivo Filot is a theoretical chemist. His research involves developing new computational techniques in multiscale modeling of catalytic reactions, in particular for the elucidation of the complex Fischer-Tropsch reaction mechanism, employing density functional theory and microkinetic modeling. His areas of expertise are:

  • Theoretical chemistry: Quantum mechanics, ab-initio electronic structure calculations
  • Computational catalysis: Force-field modeling, molecular dynamics.
  • Statistical Thermodynamics: Microkinetic modeling, reaction pathway analysis, ab-initio thermodynamics.
  • Computer science: Object-oriented programming, cross-platform software development, mathematical routines

https://www.youtube.com/watch?time_continue=61&v=44OU4JxEK4k

Academic background

Ivo Filot studied Chemical Engineering and Chemistry at Eindhoven University of Technology (TU/e) where he received his Master's degree (cum laude) in 2009. He continued with PhD research under the supervision of Prof. Emiel Hensen and Prof. Rutger van Santen, which he finished in 2015 with his thesis 'Quantum Chemistry and Microkinetics of the Fischer-Tropsch Reaction'. After a short stint as postdoctoral researcher he became an assistant professor at TU/e in 2015. In 2016 Filot was a Visiting Professor at Pennsylvania State University with the Adri van Duin research group. From 2011-2016 Filot was Managing Director at the Zuidstijl company, specializing in (cloud) software maintenance and development.

Affiliated with

  • Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC)
  • Institute of Complex Molecular Systems (ICMS)
  • Center for Computational Energy Research (CCER)

Partners in (semi-)industry

  • SCM
  • Shell

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Onderzoeksoutput 2010 2019

24 Citaties (Scopus)

The optimally performing Fischer-Tropsch catalyst

Filot, I. A. W., van Santen, R. A. & Hensen, E. J. M., 1 nov 2014, In : Angewandte Chemie - International Edition. 53, 47, blz. 12746-12750 5 blz.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

Carbon Monoxide
Catalysts
Monomers
Chemical activation
Metals
44 Citaties (Scopus)

First-principles-based microkinetics simulations of synthesis gas conversion on a stepped rhodium surface

Filot, I. A. W., Broos, R. J. P., van Rijn, J. P. M., van Heugten, G. J. H. A., Santen, van, R. A. & Hensen, E. J. M., 2015, In : ACS Catalysis. 5, 9, blz. 5453-5467 15 blz.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

Open Access
Bestand
Rhodium
Synthesis gas
Carbon Monoxide
Ethanol
Methane
18 Citaties (Scopus)

Mechanism of cobalt-catalyzed CO hydrogenation: 2. Fischer-Tropsch synthesis

Chen, W., Filot, I. A. W., Pestman, R. & Hensen, E. J. M., 1 dec 2017, In : ACS Catalysis. 7, 12, blz. 8061-8071 11 blz.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

Open Access
Bestand
Fischer-Tropsch synthesis
Carbon Monoxide
Cobalt
Hydrogenation
Hydrocarbons

A quantum chemical study of environmental catalysis at the metal-ceria interface

Su, Y., 16 jan 2019, Eindhoven: Technische Universiteit Eindhoven. 180 blz.

Onderzoeksoutput: ScriptieDissertatie 1 (Onderzoek TU/e / Promotie TU/e)Academic

Open Access
Bestand
Catalytic converters
Cerium compounds
Precious metals
Catalysis
Metals

A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of ϴ-Fe 3 C

Broos, R. J. P., Klumpers, B., Zijlstra, B., Filot, I. A. W. & Hensen, E. J. M., 1 jan 2019, In : Catalysis Today.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

Open Access
Carbon Monoxide
Chemical activation
Carbides
Fischer-Tropsch synthesis
Cobalt

Prijzen

NWO Veni Award : Mesoscale simulations in catalysis

Ivo Filot (Ontvanger), 2017

Prijs: NWOVeniWetenschappelijk

Catalyst deactivation
Catalysis
Catalysts

Cursussen

Anorganische chemie

1/09/13 → …

Cursus

Capita selecta

1/09/16 → …

Cursus

Engineering Design

1/09/14 → …

Cursus

Modern concepts in catalysis

1/09/14 → …

Cursus

Scriptie

A quantummechanical analysis of the carbide Fischer-Tropsch mechanism on Rh(211)

Auteur: van Heugten, G., 31 aug 2013

Begeleider: Filot, I. (Afstudeerdocent 1), Hensen, E. (Afstudeerdocent 2), Peters, E. (Afstudeerdocent 2) & Ligthart, D. (Afstudeerdocent 2)

Scriptie/masterproef: Master

Caesium and chlorine promotion in the silver particle size dependency and of the ethylene epoxidation

Auteur: Hermans, E., 31 jan 2018

Begeleider: van Hoof, A. (Afstudeerdocent 1), Hensen, E. (Afstudeerdocent 2), Friedrich, H. (Afstudeerdocent 2) & Filot, I. (Afstudeerdocent 2)

Scriptie/masterproef: Master

Bestand

Dynamic modelling and experimental validation of membrane assisted gas switch reforming process

Auteur: Pouw, S., 30 aug 2017

Begeleider: van Sint Annaland, M. (Afstudeerdocent 1), Roghair, I. (Afstudeerdocent 2), Wassie, S. (Afstudeerdocent 2) & Filot, I. (Afstudeerdocent 2)

Scriptie/masterproef: Master

Bestand

Elucidation of the formation of ethanol during Fischer-Tropsch synthesis on stepped rhodium

Auteur: van Rijn, J., 31 aug 2013

Begeleider: Filot, I. (Afstudeerdocent 1), Hensen, E. (Afstudeerdocent 2), Nijhuis, T. (Afstudeerdocent 2) & van Santen, R. (Afstudeerdocent 2)

Scriptie/masterproef: Master

Modeling electrochemistry, diffusion and surface kinetics of CO2 reduction on copper

Auteur: van Noort, E., 27 feb 2019

Begeleider: Zijlstra, B. (Afstudeerdocent 1), Hensen, E. (Afstudeerdocent 1), Filot, I. (Afstudeerdocent 2) & Roghair, I. (Afstudeerdocent 2)

Scriptie/masterproef: Master

Bestand