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 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
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 7 Affordable and Clean Energy
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SDG 13 Climate Action
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Collaborations and top research areas from the last five years
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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 journal › Article › Academic › peer-review
305 Link opens in a new tab Citations (Scopus)14 Downloads (Pure) -
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 journal › Article › Academic › peer-review
Open AccessFile165 Link opens in a new tab Citations (SciVal)398 Downloads (Pure) -
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 journal › Article › Academic › peer-review
Open AccessFile138 Link opens in a new tab Citations (Scopus)350 Downloads (Pure) -
Catalytic In Situ Acetalization Strategy for High-Yield Synthesis of C4- and C2-Carbohydrate Derivatives from Glucose
Osuga, R., Bhat, N. S., Shi, Q., Shibayama, N., Yabushita, M., Suganuma, S., Taniguchi, H., Tada, M., Kato, H., Zhang, L., Filot, I., Hensen, E. J. M. & Nakajima, K. (Corresponding author), 16 Jan 2026, In: ACS Catalysis. 16, 2, p. 1675-1683 9 p.Research output: Contribution to journal › Article › Academic › peer-review
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Impact of Transition-Metal Doping of Ceria for Stabilization of Pd Single Atoms for Low-Temperature CO Oxidation
Li, M., Su, Y., Filot, I. A. W. (Corresponding author) & Hensen, E. J. M. (Corresponding author), 15 May 2026, In: ACS Catalysis. 16, 10, p. 9163-9179 17 p.Research output: Contribution to journal › Article › Academic › peer-review
Datasets
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Bramble: adaptive common neighbor analysis (CNA) for the recognition of surface topologies in nanoparticles
Filot, I. (Creator), van Etten, M. P. C. (Creator), Trommelen, D. (Creator) & Hensen, E. (Creator), Zenodo, 10 Jul 2023
DOI: 10.5281/zenodo.8129268, https://zenodo.org/record/8129268 and one more link, https://zenodo.org/record/8341189 (show fewer)
Dataset
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Density of states and Crystal Orbital Hamilton Population Analysis of CO adsorbed on Co
Krosschell, R. (Creator), Hensen, E. (Creator) & Filot, I. (Creator), Zenodo, 19 Dec 2023
DOI: 10.5281/zenodo.10405016, https://zenodo.org10405016 and one more link, https://zenodo.org/records/10885762 (show fewer)
Dataset
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Reaction-coordinate driven Kohn-Sham orbital characterisation for CO adsorption trajectories source code
van Limpt, J. (Creator) & Filot, I. (Creator), Zenodo, 8 Jul 2023
DOI: 10.5281/zenodo.8127113, https://zenodo.org/record/8127113
Dataset
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CCDC 1562237: Experimental Crystal Structure Determination
van Zee, N. J. (Creator), Adelizzi, B. (Creator), Mabesoone, M. F. J. (Creator), Meng, X. (Creator), Aloi, A. (Creator), Zha, R. H. (Creator), Lutz, M. (Creator), Filot, I. A. W. (Creator), Palmans, A. R. A. (Creator) & Meijer, E. W. (Creator), Cambridge Crystallographic Data Centre, 14 Jul 2017
DOI: 10.5517/ccdc.csd.cc1pfmrh
Dataset
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EDP: a program for projecting electron densities from VASP onto planes
Filot, I. (Creator), Zenodo, 1 Jul 2023
DOI: 10.5281/zenodo.8104498, https://zenodo.org/record/8104498
Dataset
Prizes
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NWO Veni Award : Mesoscale simulations in catalysis
Filot, I. A. W. (Recipient), 2017
Prize: NWO › Veni › Scientific
Courses
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Capita selecta
Course
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Catalysis science and technology
Filot, I. A. W., Hensen, E. J. M. & van Etten, M. P. C. 1/09/14 → 31/08/26
Course
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Press/Media
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New Findings from Eindhoven University of Technology Describe Advances in Nanoparticles (Unraveling the Role of Metal-support Interactions On the Structure Sensitivity of Fischer-tropsch Synthesis)
Filot, I. A. W. & Hensen, E. J. M.
13/09/23
1 item of Media coverage
Press/Media: Expert Comment
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Studies from Eindhoven University of Technology Add New Findings in the Area of Chemicals and Chemistry (The Promoting Role of Ni On In2o3 for Co2 Hydrogenation To Methanol)
Hensen, E. J. M., Filot, I. A. W. & Cannizzaro, F.
15/03/23
1 item of Media coverage
Press/Media: Expert Comment
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UTRECHT UNIVERSITY : 'Collaboration is an essential condition for this degree of impact'; Team science leads to breakthrough in CO2 conversion
Hensen, E. J. M. & Filot, I. A. W.
26/11/19
2 items of Media coverage
Press/Media: Expert Comment
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Team science leads to breakthrough in CO2 conversion
Hensen, E. J. M. & Filot, I. A. W.
25/11/19
1 item of Media coverage
Press/Media: Expert Comment
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Ellen Sterk wins AkzoNobel Graduation Prize for Chemistry and Process Technology 2018
6/11/18
1 item of Media coverage
Press/Media: Expert Comment
Thesis
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Understanding the cooperativity within benzene-1,3,5-tricarboxamides
Filot, I. A. W. (Author), de Greef, T. F. A. (Supervisor 1), Pidko, E. A. (Supervisor 2), Meijer, E. W. (Supervisor 2) & van Santen, R. A. (Supervisor 2), 31 Dec 2009Student thesis: Master