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Personal profile

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 powerwe 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

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2010 2019

24 Citations

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, p. 12746-12750 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

Carbon Monoxide
Catalysts
Monomers
Chemical activation
Metals
35 Citations

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, p. 5453-5467 15 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Rhodium
Synthesis gas
Carbon Monoxide
Ethanol
Methane
8 Citations

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, p. 8061-8071 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

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

A quantum-chemical study of CO dissociation mechanism on low-index Miller planes of ϴ-Fe3C

Broos, R., Klumpers, B., Zijlstra, B., Filot, I. & Hensen, E., 2019, (Accepted/In press) In : Catalysis Today.

Research output: Contribution to journalArticleAcademicpeer-review

Carbon Monoxide
Chemical activation
Carbides
Fischer-Tropsch synthesis
Cobalt

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

Su, Y., 16 Jan 2019, Eindhoven: Technische Universiteit Eindhoven. 180 p.

Research output: ThesisPhd Thesis 1 (Research TU/e / Graduation TU/e)Academic

Open Access
File
Catalytic converters
Cerium compounds
Precious metals
Catalysis
Metals

Prizes

NWO Veni Award : Mesoscale simulations in catalysis

Ivo Filot (Recipient), 2017

Recognition: NWOVeniScientific

Catalyst deactivation
Catalysis
Catalysts

Courses

Capita selecta

1/09/16 → …

Course

Modern concepts in catalysis

1/09/14 → …

Course

Numerical methods

1/09/13 → …

Course

Student theses

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

Author: van Heugten, G., 31 Aug 2013

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

Student thesis: Master

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

Author: Hermans, E., 31 Jan 2018

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

Student thesis: Master

File

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

Author: van Rijn, J., 31 Aug 2013

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

Student thesis: Master

Modeling the Fischer-Tropsch reaction on Cobalt surfaces

Author: Zijlstra, B., 31 Jan 2015

Supervisor: Filot, I. (Supervisor 1) & Hensen, E. (Supervisor 2)

Student thesis: Master

File

The kinetic isotope effect of Fischer-Tropsch synthesis on a cobalt stepped surface

Author: Vermeer, J., 30 May 2018

Supervisor: Hensen, E. (Supervisor 1), Filot, I. (Supervisor 2), Peters, E. (Supervisor 2), Zijlstra, B. (Supervisor 2) & van Etten, M. (Supervisor 2)

Student thesis: Master

File