Matthias Bickelhaupt

Full Professor and Head Division of Theoretical Chemistry

Matthias Bickelhaupt develops chemical theories and methods for rationally designing molecules, nano-structures and materials as well as chemical processes toward these compounds, based on quantum mechanics and computer simulations. An essential part of these efforts is theory-driven experimentation, the application of our theories and models in cooperation with experimental groups.

His scientific activities comprise four main directions of research that are intimately connected and reinforce each other: 1) Structure and Chemical Bonding in Kohn-Sham Density Functional Theory (DFT), 2) Molecular Recognition and Theoretical Biochemistry, 3) Elementary Chemical Reactions [see: Activation Strain modelPyFrag], and 4) Fragment-oriented Design of Catalysts. For a publication analysis, go to his ResearcherID and click on Citation Metrics.


Curriculum Vitae

1983 - 1988: Chemistry study at Vrije Universiteit Amsterdam, The Netherlands
Major: Theoretical Chemistry
Minor: Organic Chemistry                

Extra: Physical Chemistry

1988 - 1993: Ph.D. in Mass Spectrometry at University of Amsterdam, The Netherlands
Promotor: Prof. Dr. N.M.M. Nibbering
Copromotor: Prof. Dr. E. J. Baerends
Thesis: "Base-Induced Elimination Reactions - An Experimental and Theoretical Study on Gas-Phase Reactions"

1993 - 1997: Postdoctoral positions in Theoretical Chemistry with:
1. Prof. Dr. P. von Ragué Schleyer, Universität Erlangen-Nürnberg, Germany
2. Prof. Dr. T. Ziegler, University of Calgary, Canada
3. Prof. Dr. R. Hoffmann, Cornell University, USA
4. Prof. Dr. E. J. Baerends, Vrije Universiteit Amsterdam, The Netherlands

1997 - 1999: Assistant Professor at Philipps-Universität Marburg, Germany

1999 - 2003: Tenured Assistant Professor at Vrije Universiteit Amsterdam, The Netherlands

2003 - 2008: Associate Professor at Vrije Universiteit Amsterdam, The Netherlands

2009 - present: Full Professor at Vrije Universiteit Amsterdam, The Netherlands

2012 - present: Extraordinary Professor at Radboud University, The Netherlands

2014 - present: Fellow of the Royal Society of Chemistry (FRSC)

2014 - present: Member Royal Holland Society of Sciences and Humanities

2020 - present: Chemistry Europe Fellow 



> Head, Department of Chemistry & Pharmaceutical Sciences - since Feb 2019
> Head, Division of Theoretical Chemistry - since 2010

> Chairman of the Board, Holland Research School of Molecular Chemistry (HRSMC) - since 2010

> Member, NWO Table Chemistry

Editorial Board member, Chemistry - An Asian Journal (VCH and ChemPubSoc Europe)

> Editorial Board member, Chemistry - A European Journal (VCH and ChemPubSoc Europe)

> Editorial Board member, ChemistryOpen (VCH and ChemPubSoc Europe)

> Editorial Board member, Physcial Chemistry Chemical Physics (Royal Society of Chemistry)

> Editorial Board member, Journal of Computational Chemistry (Wiley)

> Chairman, Program Committee, BSc Scheikunde (undergraduate program) & MSc Chemistry (graduate program), Vrije Universiteit Amsterdam & University of Amsterdam

> Member, Scientific Advisory Board - Institute of Computational Chemistry and Catalysis (ICCC), University of Girona

> Member, Advisory Board - Leiden Institute of Chemistry (LIC), Leiden University

> Membership of Chemical Societies: (1) KNCV (Netherlands), (2) GDCh (Germany), (3) ACS (USA), (4) IUPAC (international), (5) WATOC (international), (6) AGTC (Germany)

> Referee for Funding Agencies, i.a.: (1) NWO, Netherlands; (2) ERC, EU; (3) NSF, USA, (4) FWF, Austria; (5) RCN, Norway; (6) NSERC, Canada; (7) Petroleum Research Fund (PRF), USA; (8) U.S. Department of Energy (DOE), USA; (9) Portuguese Foundation for Science and Technology (FCT); (10) The Croucher Foundation, Hong Kong, China; (11) Academy of Finland, Finland; (12) National Research Foundation (NRF), South Africa; (13) New Eurasia Foundation (NEF) & Ministry of Education and Science, Russia; (14) Fonds Wetenschappelijk Onderzoek (FWO), Belgium. (15) Croatian Science Foundation (CSF); (16) Swiss National Science Foundation (SNF); (17) Freiburg Institute for Advanced Studies (FRIAS), Germany; (18) Research Council for Natural Sciences and Engineering, Finland; (19) Deutsche Forschungsgemeinschaft (DFG), Germany.

> Referee for 100+ international scientific journals



Industrial Collaborations

1. Scientific Computing and Modling NV (SCM), Amsterdam, Netherlands

2. Blum Scientific, München, Germany

3. SynAffix, Oss, Netherlands

4. Wacker Chemie AG, München, Germany

5. AkzoNobel, Netherlands

Academic Alliances

1999-2014: National Research School Combination - Catalysis (NRSC-C), Eindhoven

2000-present: Holland Research School of Molecular Chemistry (HRSMC), Amsterdam

2007-2012: International Research Training Group (IRTG) HRSMC-University of Münster, Germany

2008-present: Amsterdam Center for Multiscale Modeling (ACMM), Dutch node (with Lorentz Center) of European CECAM

2009-present: Netherlands Institute for Catalysis Research (NIOK

2010-present: Amsterdam Institute of Molecules, Medicines and Systems (AIMMS), VU University, Amsterdam

2016-present: Advanced Research Center Chemical Building Blocks Consortium (ARC-CBBC)



1992: Shell PhD-student travel grant (Sanibel Symposium, USA)    

1993-1996: Deutsche Forschungsgemeinschaft (DFG) Postdoctoral Fellowship

1997-1999: DFG Habilitation Fellowship

1998: European Union TMR Visiting Scientist, Univ. Girona, Instit. Comput. Chem.

1998-2000: Fond der Chemischen Industrie (FCI) Fellowship A. Diefenbach (1 PhD + equipment & consumables)

2001-2006: Netherlands Organization for Scientific Research (NWO) Jonge Chemici award (1 PhD + equipment & consumables)

2000:  DAAD (German Exchange Service) Visiting Scientist, Univ. Girona, Inst. Comput. Chem.

2002-2007:   HPC-Europa (ca. 10 visitor grants)

2002-2008: NWO VICI award (2 PhD + 2 PD + large compute cluster + other equipment & consumables)

2004-2009: National Research School Combination - Catalysis (NRSC-C) research grant (1 PhD + 1 PD + equipment & consumables)

2004-2005: Generalitat de Catalunya (GdC) Fellowship for J. Poater (1 PD + equipment & consumables)

2006-2008: Marie Curie Fellowship (1 senior PD: J. Poater + equipment & consumables)

2007: Nominated Best Teacher Faculty of Sciences

2007-2012: IRTG HRSMC-Univ. Münster funded by DFG and NWO (3 shared PhD + equipment & consumables)

2009-2011: Ministry of Science and Education of Spain (MeC) Fellowship (1 PD: J. M. Ruíz)

2009-2015: NRSC-C research grant (1 PdD + 1 PD + equipment & consumables)

2009: Selected Teacher of the Amsterdam University College (AUC)

2009-2012: Industrial contract-research project with Wacker Chemie (1 PD + travel costs)

2009-2014: IRSES grant "CANIOC" (joint proposal Girona, Amsterdam, Guanajuato: network activities)

2010-2015: NWO Astrochemistry research grant (1 PhD + equipment & consumables)

2011:  Nominated Best Teacher Faculty of Sciences

2011-2012: Basque Science Foundation Fellowship (1 PD: A. de Cozar + equipment & consumables)

2011-2015: NRSC-C research grant Bio-Solar Cells (1 PhD + equipment & consumables)

2012: NWO BAZIS (joint ACMM proposal: € 350,000 for parallel compute cluster)

2012: CNPq Visiting Professorship, University of São Paulo, Ribeirão Preto, SP, Brazil (not accepted due to personal circumstances)    

2012-2015: COST Action CM1005, Member (network activities)

2012-2016: COST Action CM1105, Member Management Committee (network activities)

2012-2019: NWO Graduate Program (joint HRSMC proposal: € 800,000 for 4 PhD + equipment & consumables)

2013-2019: NWO-Doctoral Grant for Teachers (1 PhD: Z. Boughlala + equipment & consumables)

2013: European Union Visiting Professorship, Center for Advanced Studies, Warsaw University of Technology

2013: EMBO Short-Term Fellowship (host PI for 1 PD: J. Poater)

2013-2015: Marie Curie (MC) Fellowship (1 senior PD: G. Paragi + equipment & consumables)

2013-2017: NWO Planetary and Exoplanetary Research Program (2 PD + equipment & consumables)

since 2014: Member Koninklijke Hollandsche Maatschappij der Wetenschappen (Royal Holland Society of Sciences and Humanities)

2014-2015: Centro Paulo Freire hosting grant (1 visiting professor: S. E. Galembeck)

2014: Marie Curie Fellowship (1 senior PD: G. Roos + equipment & consumables)

since 2014: Fellow of the Royal Society of Chemistry (FRSC)

2014-2018: China Scholarship Council (CSC) grant (1 PhD: X. Sun)

2015-2019: Shell-NWO/FOM Computational Science for Energy (CSER) grant; with Lammertsma (1 PhD: A. Narsaria + equipment & consumables)

2016-2018: DFG Postdoctoral Fellowship (host PI for 1 PD: J. Nitsch)

2016: HRSMC hosting grant; with Orru and Ruijter (1 visiting professor: J. Poater, 6 months)

2016-2017: China Scholarship Council (CSC) grant (1 PhD: Z. Liu)

2016-present: Member Advanced Research Center Chemical Building Blocks (ARC-CBBC)

2017-2021: NWO Astrochemistry II research grant (with I. Swart: 1 PhD + equipment & consumables)

2017-2021: China Scholarship Council (CSC) grant (1 PhD: S. Yu)

2018: HRSMC hosting grant; with Orru and Ruijter (1 visiting professor: I. Fernandez, mid 2018)

2018-2022: National Research Foundation (NRF) of South Africa (with C. Esterhuysen: 1 PhD + consumables)

2019: HRSMC hosting grant (1 visiting professor: O. Jiménez-Halla)

2019-2023: ARC-CBBC research grant (Assistant Professor + PhD student)

2019-permanent: Ministry of Education and Science - Sectorplan Beta en Techniek (joint Dept. Chem. & Pharm. proposal)

2019-permanent: Ministry of Education and Science - Sectorplan Beta en Techniek - Additional Funding for Comput. Chem. 

since 2020: Chemistry Europe Fellow 

  • Twitter

©2020 by TheoCheM