Last update: 10/07/2026
2026
[Honorary lectureship] at the CRC Symposium "Perspectives of Catalysis Research", "Beyond the active site: Toward a Molecular View of Industrial Catalysts in Action Across Space and Time", 24 July 2026, Munich, Germany.
CRC Symposium "Perspectives of Catalysis Research" - TUM Zentralinstitut für Katalyseforschung
[Keynotes] at the 20th International Conference on Theoretical Aspects of Catalysis (ICTAC XX), "Following molecules in time when traveling through nanoporous catalysts", 8 July 2026, Delft, The Netherlands.
Program - ICTAC XX
[Invited talk] at the Catalysis and Conversion group at the University of Wageningen, "A molecular view on chemical transformations in nanoporous materials and industrial catalysts", 22 June 2026, Wageningen, The Netherlands.
[Invited talk] at the École Normale Supérieure, CECAM - Machine learned interatomic potentials for chemical reactivity, "Machine Learning Potentials for reaction rates and free energy profiles in heterogeneous catalysis", 15-18 June 2026, Paris, France
[Keynotes] at the 18th International Congress on Quantum Chemistry (ISQC2026), "Why Electronic Structure Theory Still Matters in the Age of Machine Learning: Toward Predictive Design of Nanostructured Materials", 31 May-5 June 2026, Berkeley, California, United States of America
[Invited Seminar] at the Department of Chemistry@KULeuven, "Modeling Nanoporous materials for emerging applications at the crossroads of machine learning, quantum mechanics and statistical physics", 6 May 2026, Leuven, Belgium
[Invited Contribution] at the Faraday discussion meeting, Bridging the gap from surface science to heterogeneous catalysis Faraday Discussion, 20-22 April 2026, London, A consistent dynamics view on nanoporous catalysts in action across length and time scales. Link to the Faraday Discussion paper
[Plenary Lecture] A molecular view on a successful catalytic trajectory in nanoporous materials bridging length and time scales, 18-20 March 2026, Weimar, Germany German Catalysis Symposium
Van Speybroeck V.
https://dechema.de/en/katalytiker2026.html
[Invited talk] Challenging problems in modeling nanoporous materials for emerging technologies, 24 February, Seattle, Microsoft Quantum
Van Speybroeck V.
[Invited Seminar] New frontiers in modelling nanoporous materials for catalysis, diffusion and adsorption by integrating machine learning in the molecular modelling workflow, 26 February 2026, Berkely at The Bakar Institute of Digital Materials for the Planet (BIDMaP)
Van Speybroeck V.
https://bidmap.berkeley.edu/seminars-events
2025
[Invited talk] Nanostructured materials for future technologies
Van Speybroeck V.
Quetelet colleges, Ghent, BE, 25/11/2025
[Invited talk] Nanogestructureerde materialen als sleutel voor toekomstige technologieën
Van Speybroeck V.
Wetenschappelijke nascholing, Ghent, BE, 04/11/2025
[Invited talk] Pushing the boundaries of simulations to model nanoporous materials for emerging technologies: How to bridge length and time scales while keeping quantum accuracy?
Van Speybroeck V.
Online seminar at Microsoft Quantum, Santa Barbara, US, 30/10/2025
[Invited talk] Pushing the limits of computational chemistry: the phase diagram of water
Bocus M.; Braeckevelt T.; Dobbelaere P.; Maet A.; Temmerman W.; Vandenhaute S.; Vanlommel S.; Vekeman J.; Van Speybroeck V.
EuroHPC User Days 2025, Copenhagen, DK, 30/09/2025 - 01/10/2025
[Keynotes] New frontiers in modeling adsorption in metal-organic frameworks accounting for flexibility and accurate intermolecular interactions
Van Speybroeck V.; Goeminne R.; Ravichandran S.; Verstraelen T.; Vanduyfhuys L.
EuroMOF2025: 6th European Conference on Metal Organic Frameworks and Porous Polymers, Heraklion, GR, 21/09/2025 - 24/09/2025
[Invited talk] New frontiers in modeling nanoporous materials and their applications at the crossroads of quantum mechanics, statistical physics and machine learning
Van Speybroeck V.
Van Marum Colloquia, Leiden, NL, 04/09/2025 - 04/09/2025
[Invited talk] Operando modeling of nanoporous materials at the crossroads of quantum mechanics, statistical physics and machine learning
Van Speybroeck V.
Psi-k conference 2025, Lausanne, CH, 25/08/2025 - 28/08/2025
[Plenary] New avenues in modelling realistic nanoporous materials at operating conditions
Van Speybroeck V.
13th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Oslo, NO, 22/06/2025 - 27/06/2025
[Keynotes] Bridging Length and Time Scales in Catalysis for C1 Chemistry: From the Molecule to the Catalyst Particle Level
Van Speybroeck V.
29th North American Meeting of the North American Catalysis Society (NAM29), Atlanta, US, 08/06/2025 - 13/06/2025
[Invited talk] New avenues in modeling nanoporous materials and their applications at crossroads of quantum mechanics, statistical physics and machine learning
Van Speybroeck V.
Solvay Colloquia, Brussels, BE, 12/05/2025
[Invited talk] New avenues in modelling zeolite catalysis at operating conditions bridging length and time scales
Van Speybroeck V.
ITQ Severo Ochoa Lecture, Valencia, ES, 08/05/2025
[Invited talk] Nanogestructureerde materialen als sleutel voor toekomstige technologieën
Van Speybroeck V.
Minisymposium: "Het verleden ontcijferen, de toekomst zien", Algemene vergadering, Koninklijke Vlaamse Academie van Belgie voor wetenschappen en kunsten, Brussels, BE, 22/04/2025
[Plenary] Multiscale Approaches from Molecular Design to Industrial Application: The Role of Machine Learning in Optimizing Catalytic Processes
Van Speybroeck V.
Catalysis Connected, Rotterdam, NL, 16/04/2025 - 17/04/2025
[Invited talk] Nanostructured materials for future technologies
Van Speybroeck V.
Quetelet colleges, Ghent, BE, 01/04/2025
[Invited talk] Machine Learning potentials for modeling realistic nanostructured materials and their applications
Van Speybroeck V.
Meeting on Psiflow ML Potentials for Perovskites, Eindhoven, NL, 27/01/2025
[Invited talk] A dynamics view on zeolite catalysis at operating conditions bridging length and time scales
Van Speybroeck V.
The 11th UK Catalysis Conference, Loughborough, GB, 08/01/2025 - 10/01/2025
2024
[Invited talk] New avenues in modeling nanoporous materials and their applications at crossroads of quantum mechanics, statistical physics and machine learning
Van Speybroeck V.
Seminar at iit Atomistic Simulations, Genova, IT, 21/11/2024
[Invited talk] Challenges and opportunities in modeling functional nanostructured materials for future technologies
Van Speybroeck V.
ISCC Day, Utrecht, NL, 15/11/2024
[Invited talk] Modeling functional nanostructured materials for future technologies at the intersection of quantum mechanics, statistical physics and machine learning
Van Speybroeck V.
Vereniging voor Natuurkundigen (VVN), Ghent University, Ghent, BE, 07/11/2024
[Invited talk] Machine learning potentials to bridge the gap between theory and experiments in zeolite catalysis
Bocus M.; Vandenhaute S.; Van Speybroeck V.
NanoInnovation 2024, Rome, IT, 09/09/2024 - 13/09/2024
[Invited talk] Machine Learning Potentials for nanostructured materials and their applications
Van Speybroeck V.
A Time Warp in Digital Chemical Discoveries, Leiden, NL, 02/09/2024 - 06/09/2024
[Invited talk] Accurate rare events sampling with fine-tuned graph neural networks
Bocus M.; Vandenhaute S.; Van Speybroeck V.
A Time Warp in Digital Chemical Discoveries, Leiden, NL, 02/09/2024 - 06/09/2024
[Keynotes] A dynamics view on zeolite catalysis at operating conditions bridging length and time scales
Van Speybroeck V.
18th International Congress on Catalysis, Lyon, FR, 14/07/2024 - 19/07/2024
[Plenary] Operando modelling of functional nanostructured materials for future technologies
Van Speybroeck V.
Doctoral Workshop - PhD in Chemistry - Universitat Autònoma de Barcelona (UAB), Barcelona, ES, 10/06/2024
[Invited talk] New Frontiers in Modeling Complex Catalytic Cycles at Operating Conditions Bridging Length and Time Scales
Van Speybroeck V.
ICIQ Seminar Programme, Tarragona, ES, 19/04/2024
[Invited talk] From quantum mechanics to machine learning : Bridging length and time scales in modeling nanoporous materials at operating conditions
Van Speybroeck V.
Seminar Trinity College Dublin, Dublin, IE, 15/03/2024
2023
[Honorary lectureship] New Frontiers in Modeling Nanoporous Materials for Catalysis, Diffusion and Adsorption
Van Speybroeck V.
The Dr. Karl Wamsler Innovation Award Symposium 2023 – Advancing Catalysis Science, Garching bei München, DE, 09/11/2023
[Invited talk] Challenges in modelling realistic metal-organic frameworks at operating conditions
Van Speybroeck V.
Nobel Symposium NS193: Metal-organic frameworks – Fundamental science enabling transformative materials, Karlskoga, SE, 19/09/2023 - 22/09/2023
[Invited talk] Operando modelling of functional nanostructured materials for future technologies
Van Speybroeck V.
One-day symposium - sorption, transport and catalysis in metal-organic frameworks, Uppsala, SE, 18/09/2023
[Invited talk] Resolving Complex Catalytic Cycles with Modeling Techniques Bridging Length and Time Scales
Van Speybroeck V.
GRC Nanoporous Materials and Their Applications: Expanding the Horizons of Porous Materials Design and Applications, Andover, NH 03216, US, 06/08/2023 - 11/08/2023
[Invited talk] On the challenges of simulating accurate adsorption properties and their data management
Van Speybroeck V.; Vanduyfhuys L.
“Digital Adsorption Data Space” - A IUPAC Task Force Symposium, 30/05/2023
[Honorary lectureship] From quantum mechanics to machine learning: Bridging length and time scales in modeling nanoporous materials at operating conditions
Van Speybroeck V.
Hassel Lecture 2023, Oslo, NO, 25/05/2023 - 26/05/2023
[Honorary lectureship] Operando modelling functional nanostructured materials for sustainable chemistry, nanosensing and clean energy
Van Speybroeck V.
Hassel Lecture 2023, Oslo, NO, 25/05/2023 - 26/05/2023
[Invited talk] Resolving complex catalytic cycles with modeling techniques bridging length and time scales
Van Speybroeck V.
Solvay Workshop - New ways to do chemistry "Emerging technologies for synthetic methodology", Brussels, BE, 24/04/2023 - 26/04/2023
[Invited talk] Challenges in modeling spatiotemporal phenomena in metal-organic frameworks
Van Speybroeck V.
Dynamic Materials, Crystals and Phenomena Conference (DynaMIC23), Fribourg, CH, 22/03/2023 - 24/03/2023
[Invited talk] Operando modeling of realistic functional nanoporous materials for sustainable chemistry, nanosensing and clean energy
Van Speybroeck V.
Colloquium at l’école nationale supérieure de chimie de Paris - PSL, Paris, FR, 08/02/2023
2022
[Keynotes] Modeling Dynamic Processes in Realistic Nanostructured Materials at Operating Conditions
Van Speybroeck V.
Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society, Bergen, BE, 28/11/2022 - 29/11/2022
[Invited talk] Towards modeling spatiotemporal processes in metal-organic frameworks
Van Speybroeck V.; Vandenhaute S.
MOF2022: 8th International Conference on Metal-Organic Frameworks and Open Framework Compounds, Dresden, DE, 04/09/2022 - 07/09/2022
[Invited talk] Modelling realistic nanoporous materials at operating conditions
Van Speybroeck V.
5th Annual UKPorMat Conference, Glasgow, GB, 13/06/2022 - 14/06/2022
[Invited talk] A molecular modeling perspective on the C1 chemistry for light olefin and aromatics formation over zeolites
Van Speybroeck V.
NordCO2 monthly seminars - June 2022, Oslo (Online lecture), NO, 02/06/2022
[Invited talk] Modelling realistic nanoporous materials at operating conditions
Van Speybroeck V.
Scientific meeting - Supercomputer modelling of advanced materials, London, GB, 06/06/2022 - 07/06/2022
[Invited talk] Computationally understanding and designing functional materials for energy applications: From nanoscale to realistic mesoscale models
Rogge S. M. J.; Van Speybroeck V.
CChESMate 1st Meeting: Climate Change and Energy Solutions through Materials Science, Villeneuve d'Ascq, FR, 28/04/2022 - 29/04/2022
[Invited talk] Round-table discussion on the impact of crystal size and morphology on framework materials
Van Speybroeck V.; Schmid R.; Kitagawa S.; Fairen-Jimenez D.; Wuttke S.
Online Symposium The Influence of Crystal Size & Morphology on Framework Materials, 10/02/2022
2021
[Invited talk] Operando modeling of realistic functional nanoporous materials
Van Speybroeck V.
ISIS Conference, Strasbourg, FR, 13/09/2021
[Invited talk] Operando modeling of realistic functional nanoporous materials
Van Speybroeck V.
IMX Seminar Series - Operando modeling of realistic functional nanoporous materials, Lausanne, CH, 27/09/2021 - 27/09/2021
[Invited talk] Towards modeling spatiotemporal processes within nanoporous materials
Van Speybroeck V.
FEZA 2021 - 8th Conference of the Federation of European Zeolite Associations, St Andrews (online), GB, 05/07/2021 - 09/07/2021
[Invited talk] Operando modeling of zeolite catalyzed processes using first principle molecular dynamics approaches
Van Speybroeck V.
ICTAC2021 - International Conference on Theoretical Aspects of Catalysis, Lyon (online), FR, 14/06/2021 - 30/06/2021
[Invited talk] How the nature, transport and reactivity of confined hydrocarbons affects the lifetime and selectivity of methanol conversion catalysts
Van Speybroeck V.
ACS Spring 2021, Washington (Live Speaker Presentation), US, 05/04/2021 - 30/04/2021
2020
[Invited talk] Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations
Van Speybroeck V.
Cooperative phenomena in framework materials: Faraday Discussion, Cambridge, GB, 13/10/2020 - 16/10/2020
2019
[Invited talk] Unravelling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals
Rogge S. M. J.; Waroquier M.; Van Speybroeck V.
FlexMOF Symposium 2019, Dresden, DE, 03/12/2019 - 05/12/2019
[Invited talk] Molecular modeling at the Center for Molecular Modeling
Van Speybroeck V.
DSM, Heerlen, NL, 29/11/2019
[Invited talk] Towards a molecular level understanding of metal-organic frameworks
Van Speybroeck V.
Technical University Dresden, Dresden, DE, 12/11/2019
[Invited talk] Operando modelling of the dynamic behaviour of Metal Organic Frameworks
Van Speybroeck V.
A Nature Conference: Physical Properties of Metal-Organic Frameworks, Nankai Qu, CN, 19/11/2019 - 21/11/2019
[Invited talk] Molecular modeling at operating conditions within zeolite catalysis
Van Speybroeck V.
Nankai University, Nankai Qu, CN, 22/11/2019
[Invited talk] Molecular modeling at operating conditions within zeolite catalysis
Van Speybroeck V.
State Key Laboratory of Coal Conversion (SKLCC), Taiyuan Shi, CN, 19/11/2019
[Plenary] A molecular-level perspective into the properties and dynamic behavior of metal-organic frameworks
Van Speybroeck V.
EuroMOF2019: 3rd European Conference on Metal Organic Frameworks and Porous Polymers, Paris, FR, 27/10/2019 - 30/10/2019
[Invited talk] Solvay conference in Chemistry : Operando modeling of functional nanoporous materials
Van Speybroeck V.
25th Solvay Conference on Chemistry - Computational Modeling: From Chemistry to Materials to Biology, Brussels, BE, 16/10/2019 - 19/10/2019
[Invited talk] Molecular modeling at operating conditions for zeolite catalyzed hydrocarbon conversions
Van Speybroeck V.
2019 IUPAC World Chemistry Congress, Paris, FR, 09/07/2019
[Plenary] Unraveling the nature of reactive intermediates and prevailing pathways within zeolite catalysis by first principle molecular modeling
Van Speybroeck V.
UK Catalysis Hub Spring Conference 2019, Oxford, GB, 02/05/2019 - 03/05/2019
[Honorary lectureship] Unraveling complex chemical and physical transformations in nanoporous materials at operating conditions
Van Speybroeck V.
Moscowitz Memorial Lectureship in Chemistry, Minneapolis, US, 05/02/2019
2018
[Invited talk] Modeling complex chemical and physical transformations in nanoporous materials at operating conditions
Van Speybroeck V.
Northwestern University, Center for Catalysis and Surfance Science, Evanston, US, 05/11/2018
[Invited talk] Molecular modeling within zeolite catalysis: Examples from the Methanol-to-Olefin process and olefin cracking
Van Speybroeck V.
UOP, Des Plaines, US, 07/11/2018
[Honorary lectureship] Modeling nanoporous materials at the nanoscale
Van Speybroeck V.
MCEC Lectureship at Utrecht University, Utrecht, NL, 05/09/2018 - 06/09/2018
[Honorary lectureship] Modeling complex chemical and physical transformations in nanoporous materials at operating conditions
Van Speybroeck V.
MCEC Lectureship at Utrecht University, Utrecht, NL, 05/09/2018 - 06/09/2018
[Honorary lectureship] Modeling complex chemical and physical transformations in nanoporous materials at operating conditions
Van Speybroeck V.
MCEC Lectureship at Twente University, Twente, NL, 11/09/2018
[Honorary lectureship] Modeling complex chemical and physical transformations in nanoporous materials at operating conditions
Van Speybroeck V.
MCEC Lectureship at Eindhoven University of Technology, Eindhoven, NL, 12/09/2018 - 13/09/2018
[Honorary lectureship] Modeling nanoporous materials at the nanoscale
Van Speybroeck V.
MCEC Lectureship at Eindhoven University of Technology, Eindhoven, NL, 12/09/2018 - 13/09/2018
[Invited talk] Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
Rogge S. M. J.; Demuynck R.; De Vos A.; Hendrickx K.; Lejaeghere K.; Maurin G.; Vandenbrande S.; Vandenhaute S.; Van Der Voort P.; Vanduyfhuys L.; Verstraelen T.; Waroquier M.; Wieme J.; Van Speybroeck V.
CECAM workshop: Multi-scale modelling of flexible and disordered porous materials, Paris, FR, 11/06/2018 - 13/06/2018
[Invited talk] First principle MD simulations for complex chemical transformations in nanoporous materials
Van Speybroeck V.
Symposium: Chemical Bonding in the 21st Century - A one day symposium in honor of Professor Roald Hoffmann, Brussels, BE, 28/05/2018
[Plenary] Molecular modeling within zeolite catalysis: The methanol-to-olefin process as a case study
Van Speybroeck V.
255th ACS National Meeting & Exposition - Spring 2018, New Orleans, US, 18/03/2018 - 22/03/2018
[Plenary] Molecular modeling within zeolite catalysis: The Methanol-to-Olefin process as a case study
Van Speybroeck V.
NCCC XIX, Noordwijkerhout, NL, 05/03/2018 - 07/03/2018
2017
[Keynotes] Towards a molecular level understanding of metal-organic frameworks
Van Speybroeck V.
EUROMAT 2017, Thessaloniki, GR, 17/09/2017 - 22/09/2017
[Keynotes] Molecular Modeling in Methanol to Olefins reaction
Van Speybroeck V.
Europacat 2017, Florence, IT, 27/08/2017 - 31/08/2017
2016
[Invited talk] First priniciples simulations of complex catalytic transformations in nanoporous materials
Van Speybroeck V.
UK Catalysis Hub Winter Conference at Harwell Campus, London, GB, 06/12/2016 - 07/12/2016
[Invited talk] Density-functional theory and experiment: a match made in heaven or in hell?
Lejaeghere K.; Van Speybroeck V.; Vanduyfhuys L.; Verstraelen T.; the Delta collaboration; Cottenier S.
EMN Meeting 2016 on Computation and Theory, Las Vegas, US, 10/10/2016 - 14/10/2016
[Invited talk] Orthogonal band gap engineering of UiO-66 frameworks through active control of defects
Lejaeghere K.; De Vos A.; Hendrickx K.; Rogge S. M. J.; Van Der Voort P.; Van Speybroeck V.
EMN Meeting 2016 on Active Matter, Las Vegas, US, 10/10/2016 - 14/10/2016
[Invited talk] First principle modeling of catalysis and materials at the nanoscale
Van Speybroeck V.
Chemical Research in Flanders Symposium, Blankenberge, BE, 24/10/2016 - 26/10/2016
[Invited talk] First principle modeling of complex chemical transformations in zeolites and metal-organic frameworks
Van Speybroeck V.
French Conference on Catalysis (FCCat1), Frejus, FR, 23/05/2016 - 27/05/2016
[Invited talk] Quality Control: Has Your DFT Code Been Δ-approved?
Lejaeghere K.; Van Speybroeck V.; Poelmans W.; Cottenier S.
2016 TMS Annual Meeting & Exhibition, Nashville, US, 14/02/2016 - 18/02/2016
2015
[Invited talk] First-Principle Modeling of Chemical and Physical Transformations in Complex Molecular Environments
Van Speybroeck V.
3rd meeting on Challenges in Computational Homogeneous Catalysis, Stockholm, SE, 03/09/2015 - 04/09/2015
[Keynotes] Understanding The Flexibility In Metal-Organic Frameworks From molecular To Thermodynamic Insights
Vanduyfhuys L.; Vandenbrande S.; Demuynck R.; Rogge S. M. J.; Ghysels A.; Verstraelen T.; Waroquier M.; Van Speybroeck V.
CHITEL2015, Torino, IT, 26/07/2015 - 31/07/2015
[Invited talk] Can catalysts be designed using theory?
Van Speybroeck V.
Satellite Meeting “Catalysis making the world a better place”, Buckinghamshire, GB, 10/06/2015 - 11/06/2015
[Invited talk] Carbon Capture Turned Upside Down: High-Temperature Adsorption & Low-Temperature Desorption (HALD)
Joos L.; Lejaeghere K.; Huck J.; Van Speybroeck V.; Smit B.
Visit group of Prof. Geoffroy Hautier, Louvain-la-Neuve, BE, 23/06/2015
[Invited talk] DFT and experiment: a match made in heaven or in hell?
Lejaeghere K.; Vanduyfhuys L.; Van Speybroeck V.; Cottenier S.
Abidev2015, Liège, BE, 28/04/2015 - 30/04/2015
[Invited talk] Exploring new frontiers in modeling complex chemical transformations in nanoporous materials
Van Speybroeck V.
IPAM workshop: Machine Learning for Many-Particle Systems, Los Angeles, US, 23/02/2015 - 27/02/2015
[Invited talk] Exploring new frontiers in modeling complex chemical transformations in nanoporous materials
Van Speybroeck V.
UC Berkeley, Berkeley, US, 26/02/2015
2014
[Invited talk] Three years of computer experiments about Po and LBE: what did we learn?
Rijpstra K.; Van Yperen-De Deyne A.; Van Speybroeck V.; Cottenier S.
SEARCH/MAXIMA 2014 International Workshop, Karlsruhe, DE, 03/10/2014
[Invited talk] Critical analysis of liquid structure models
Van Houteghem M.; Ghysels A.; Verstraelen T.; Poelmans W.; Waroquier M.; Van Speybroeck V.
WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems, Concepción, CL, 05/10/2014 - 10/10/2014
[Invited talk] Towards simulations of complex chemical conversions in zeolites
Van Speybroeck V.; De Wispelaere K.
Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014
[Invited talk] Het belang van moleculaire modellering bij het ontwerp van chemische processen en nanoporeuze materialen
Van Speybroeck V.
Lezing binnen de klasse Natuurwetenschappen van de KVAB ter gelegenheid van inaugeratie als nieuw lid van de academie, Brussels, BE, 07/09/2014
[Invited talk] Ab initio modeling for the design of TCO’s: structural properties
Rijpstra K.; Lejaeghere K.; Waroquier M.; Van Speybroeck V.; Cottenier S.
The future of transparent conducting oxides, Hasselt, BE, 26/08/2014
[Invited talk] Model guided design of nanomaterials for catalysis and adsorption
Van Speybroeck V.
5th International conference on advanced nanomaterials, Aveiro, PT, 02/07/2014 - 04/07/2014
[Invited talk] Polonium in Accelerator Driven Systems: computer experiments meet lab experiments
Rijpstra K.; Van Yperen-De Deyne A.; Waroquier M.; Van Speybroeck V.; Cottenier S.
PSI-seminar, Villigen, CH, 09/05/2014
[Invited talk] Towards applications of Metal-organic Frameworks through model-guided design
Van Speybroeck V.
Invited talk at Ruhr-Universität Bochum, Bochum, DE, 21/02/2014
[Invited talk] DFT vs. reality: the error budget
Cottenier S.; Lejaeghere K.; Jaeken J.; Van Speybroeck V.
International workshop on computational physics and materials science ("Total energy and force methods"), Lausanne, CH, 09/01/2014 - 11/01/2014
[Invited talk] The value of HPC for Molecular Modeling applications
Van Speybroeck V.
VSC Users Day, Brussels, BE, 16/01/2014
[Invited talk] How to validate pseudopotentials? Methods of comparison
Lejaeghere K.; Cottenier S.; Van Speybroeck V.
CFCAM workshop 'Pseudopotentials and PAW atomic data: beyond a "black art"?', Paris, FR, 28/01/2014 - 29/01/2014
[Invited talk] The Delta parameter: which precision has a meaning on physical results?
Cottenier S.; Lejaeghere K.; Van Speybroeck V.
CFCAM workshop 'Pseudopotentials and PAW atomic data: beyond a "black art"?', Paris, FR, 28/01/2014 - 29/01/2014
2013
[Invited talk] ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
Verstraelen T.; Ayers P. W.; Van Speybroeck V.; Waroquier M.
Research visit at the group of Guillaume Maurin, Montpellier, FR, 01/10/2013 - 03/11/2013
[Invited talk] Extended Hirshfeld: robust charges & accurate ESPs
Verstraelen T.; Ayers P. W.; Van Speybroeck V.; Waroquier M.
Research visit at the group of Guillaume Maurin, Montpellier, FR, 01/10/2013 - 03/11/2013
[Invited talk] First principle chemical kinetics of reactions in gas phase, solution and nanoporous materials
Van Speybroeck V.
School on Atomistic Simulation Techniques, Antwerp, BE, 23/09/2013 - 24/09/2013
[Invited talk] The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy
Lejaeghere K.; Van Speybroeck V.; Van Oost G.; Cottenier S.
NIST Workshop on Atomistic Simulations for Industrial Needs, Gaithersburg, US, 13/08/2013 - 14/08/2013
[Invited talk] Inverse Materials Design for Tungsten Alloys
Lejaeghere K.; Cottenier S.; Van Speybroeck V.
International Workshop on High-throughput Materials Development, Ghent, BE, 11/06/2013 - 12/06/2013
[Invited talk] The Mechanism of Methanol Conversion: Insight from Extended Cluster Models and Molecular Dynamics
De Wispelaere K.; Hemelsoet K.; Moors S. L.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.
4th Annual Global Congress of Catalysis (GCC-2013), Dalian Shi, CN, 29/06/2013 - 01/07/2013
[Invited talk] ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
Verstraelen T.; Ayers P. W.; Van Speybroeck V.; Waroquier M.
Visit to the group of Konstantin Smirnov, Lille, FR, 18/01/2013
2012
[Invited talk] Finding candidate materials for the first wall of fusion reactors by an inverse strategy
Lejaeghere K.; Cottenier S.; Waroquier M.; Van Speybroeck V.
MRS Fall Meeting, Boston, US, 25/11/2012 - 30/11/2012
[Invited talk] Error bars for solid-state density-functional theory predictions
Lejaeghere K.; Van Oost G.; Van Speybroeck V.; Cottenier S.
17th ETSF Workshop on Electronic Excitations, Coimbra, PT, 02/10/2012 - 05/10/2012
[Invited talk] ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
Verstraelen T.; Ayers P. W.; Van Speybroeck V.; Waroquier M.
Visit Martin Müser, Jülich, DE, 29/10/2012 - 30/10/2012
[Invited talk] Model-guided design of Metal-organic Frameworks
Van Speybroeck V.
Invited talk at Universiteit van Amsterdam, Amsterdam, NL, 26/09/2012
[Invited talk] The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy
Lejaeghere K.; Van Speybroeck V.; Van Oost G.; Cottenier S.
CECAM Workshop on Validation and Verification in Electronic-Structure calculations: state of the art and perspectives, Lausanne, CH, 05/09/2012 - 07/09/2012
[Invited talk] Error bars on DFT predictions: sense or nonsense?
Lejaeghere K.; Van Oost G.; Van Speybroeck V.; Cottenier S.
19th wien2k Workshop, Shinjuku, JP, 03/09/2012 - 07/09/2012
[Invited talk] Model-guided design of Metal-organic Frameworks
Van Speybroeck V.
Invited seminar at van 't Hoff Institute for Molecular Sciences - University of Amsterdam, Amsterdam, NL, 26/09/2012
[Invited talk] First principle chemical kinetics in zeolites: The MTO process as a case study
Van Speybroeck V.
Technische Universität Munchen (J. Lercher group), München, DE, 10/01/2012
2011
[Invited talk] Computational materials design for electricity generation in the 22nd century
Cottenier S.; Lejaeghere K.; Van Speybroeck V.
4th Workshop on novel methods for electronic structure calculations, and 1st southamerican congress on materials, La Plata, AR, 02/11/2011 - 04/11/2011
[Invited talk] First principle kinetic studies of zeolite catalyzed reactions
Van Speybroeck V.
Department of Chemistry, University of Oslo, Oslo, NO, 14/02/2011 - 16/02/2011
2010
[Invited talk] Materials modeling at the nanoscale
Van Speybroeck V.
Invited talk at Umicore 2010, Olen, BE, 02/11/2010
[Invited talk] First principle modeling of conjugated polymer formation
Van Speybroeck V.
Invited talk at Boğaziçi University, Bebek, Istanbul, TR, 22/09/2010
2008
[Invited talk] The methanol to olefin process from theoretical perspective
Van Speybroeck V.
ESEP European Symposium 2008, Advanced Materials, Exxon Mobil, BE, 17/12/2008
[Invited talk] First principle chemical kinetics : From gas phase to supramolecular systems
Van Speybroeck V.
WATOC2008, Sydney, AU, 14/09/2008 - 19/09/2008
[Invited talk] On the structures and Reactivity of Cationic Rhodium Monodendate Phosphoramidites for hydrogenation of olefins
Van Speybroeck V.
Invited talk at DSM, Geleen, NL, 05/08/2008
[Invited talk] Research activities CMM
Van Speybroeck V.
Invited talk at Jülich Forschungszentrum, Jülich, DE, 29/08/2008
[Invited talk] First principle chemical kinetics: From isolated molecules to supramolecular systems
Van Speybroeck V.
Eurokin’s 10th Anniversary meeting, Lyon, FR, 19/05/2008 - 20/05/2008
[Invited talk] Ab initio reaction kinetics : Use of internal hindered rotors
Van Speybroeck V.
Combustion Chemistry Centre, National University of Galway, Galway, IE, 11/02/2008 - 12/02/2008
2007
[Invited talk] Simulating reactions in organic solvents
Van Speybroeck V.
Invited stay in the group of Prof. Aviyente, Bebek, Istanbul, TR, 26/04/2007
2006
[Invited talk] Reactivity of Cationic Rhodium/MonoPhos Lewis-acid catalysts for hydrogenation of olefins
Van Speybroeck V.
Workshop at Center for Surface Chemistry and Catalysis, Leuven, BE, 07/12/2006 - 08/12/2006
[Invited talk] On the activity of rhodium phosphoramidite asymmetric hydrogenation catalysts
Van Speybroeck V.
Invited talk at DSM (October 2006), Geleen, NL, 17/10/2006
2005
[Invited talk] Identification of radiation-induced radicals in crystalline sugars: comparing ab-initio calculations with magnetic resonance experiments
Pauwels E.; Van Speybroeck V.; Waroquier M.
Invited stay in the group of Prof. G. Grampp, ESR and Photochemistry group, Technische Universität Graz, Graz, AT, 13/12/2005 - 14/12/2005
[Invited talk] Chemical kinetics of organic and organometallic reactions through molecular modeling
Van Speybroeck V.
Invited stay in the group of Prof. Aviyente (November 2005), Bebek, TR, 22/11/2005 - 25/11/2005
2004
[Invited talk] Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models
Verstraelen T.; Van Speybroeck V.; Waroquier M.
Friday lecture at EMAT, Antwerp, BE, 30/09/2004
2003
[Invited talk] Free radical polymerizations: kinetic parameters in terms of the length of the polymer chain
Van Speybroeck V.
Symposium 'Simulation approaches for investigating the reaction mechanisms and properties of polymers', Namur, BE, 16/06/2003
2002
[Invited talk] Kinetics of 1-hexene isomerization with methane sulphonic acid from first principles
Van Speybroeck V.; Van Neck D.; Waroquier M.
Eurokin meeting, Terneuzen, NL, 25/11/2002
2001
[Invited talk] Thermal degradable polycarbonates
Van Speybroeck V.
Invited talk at Agfa Gevaert, Agfa Gevaert, BE, 29/11/2001
[Invited talk] Kinetic parameters of chemical reactions calculated from first principles
Van Speybroeck V.
EUROKIN (a European cooperation initiative on kinetics research) meeting, Louvain-la-Neuve, BE, 18/02/2001 - 19/02/2001
