Personal details


IQCC Institute, Department of Chemistry
University of Girona (UdG)
Campus Montilivi (Ciències)
c/ M.A. Capmany 69
17003 Girona, Spain
E-mail: marcel.swart@gmail.com
Website: www.marcelswart.eu
Publications: www.marcelswart.eu/publ
ORCID: 0000-0002-8174-8488
Citations: GScholar, Scopus, ResearcherID
IQCC Institute, Department of Chemistry
University of Girona (UdG)
Campus Montilivi (Ciències)
c/ M.A. Capmany 69
17003 Girona, Spain
E-mail: marcel.swart@gmail.com
Website: www.marcelswart.eu
Publications: www.marcelswart.eu/publ
ORCID: 0000-0002-8174-8488
Citations: GScholar, Scopus, ResearcherID

Appointments


07/2015-present Director IQCC institute, University of Girona
09/2009-present ICREA Research Professor at IQCC, University of Girona
05/2006-09/2009 ICREA Junior Fellow at IQC, University of Girona
05/2004-05/2006 VICI Postdoctoral Fellow Prof. Bickelhaupt, VU University of Amsterdam
05/2002-05/2004 Chemistry of Complex Molecules Postdoctoral Fellow, VU University of Amsterdam

Education


03/1998-09/2002 PhD Theoretical Chemistry, University of Groningen (Netherlands)
"Density Functional Theory Applied to Copper Proteins"
Supervisors: Prof. HJC Berendsen, Prof. GW Canters, Prof. JG Snijders
Reading committee: Prof BW Dijkstra, Prof K Lammertsma, Prof AE Mark
08/1996 MSc Organic Chemistry, University of Groningen (Netherlands)

Honours and awards


07/2019 Elected Member of Academia Europaea
09/2017 Special award in honour of 120 years anniversary of Serbian Chemical Society
06/2017 Award for Best Paper in 2016 at the University of Belgrade (Serbia) with Maja Gruden
11/2015 Elected Fellow of the Royal Society of Chemistry
10/2014 Elected Fellow of the Young Academy of Europe
06/2012 Silver Jubilee Prize from Molecular Graphics and Modelling Society
06/2010 Premi Extraordinari for best PhD thesis under my supervision: Dr. Sílvia Osuna
06/2009 Premi Extraordinari for best PhD thesis under my supervision: Dr. Mireia Güell
09/2005 Young Scientist Excellent Award received from International Conference of Computational Methods in Science and Engineering (ICCMSE), Loutraki, Greece

Invited speaker

(selected Invited * , Keynote ** , Plenary *** talks; M major conferences)

Since 2001 I have presented more than 40 invited talks, more than 20 contributed talks and over 30 posters at national and international conferences. Below is a selection, the full list can be found here
2020 * M 15th European Biologic Inorganic Chemistry conference (EuroBic), Reykjavik (IS)
2020 * M 44th International Conference on Coordination Chemistry (ICCC), Rimini (IT)
2020 Metals in Biology Gordon Research Conference (GRC-2020, Late Breaking talk), Ventura (CA, USA)
2019 * 35th Winter School in Theoretical Chemistry 2019: Inorganic Chemistry, Helsinki (FI)
2019 * M 19th International Conference on Biological Inorganic Chemistry (ICBIC), Interlaken (CH)
2019 * 7th international conference on Biological Inorganic Chemistry (CANBIC7), Parry Sound (CAN)
2018 * Annual Joint Meeting Academia Euopaea and Young Academy of Europe (Building Bridges), Barcelona (ES)
2018 * 11th Congress on Electronic Structure and Principle (ESPA2018), Toledo (ES)
2018 * M 16th International Conference on Quantum Chemistry (ICQC), Menton (FR)
2017 * M Congress of World Association of Theoretical/Computational Chemists (WATOC), Munich (DE)
2017 ** FemEx 2017. Promoting female excellence in theoretical chemistry, Putten (NL)
2017 ** The Netherlands Catalysis and Chemistry Conference (N3C), Noordwijkerhout (NL)
2017 *** PAC Symposium, Utrecht (NL)
2016 *** VII Current Trends in Theoretical Chemistry, Kraków (PL)
2016 *** 53rd Annual meeting of Serbian Chemical Society, Kragujevac (RS)
2008 ** 9th European Biological Inorganic Chemistry (EuroBic) conference, Wroclaw (PL)

Furthermore, I have given more than 20 invited talks at institutions and research labs (selection): Univ. Oxford (2020) ░ Univ. Leuven (2019) ░ SD Univ. Odense (2019) ░ UvA Univ. Amsterdam (2018) ░ Max Planck Institute Stuttgart (2018) ░ Univ. Padova (2018) ░ Univ. Korea (2016) ░ KTH Stockholm (2016) ░ Univ. Groningen (2015) ░ Univ. Uppsala (2013) ░ Univ. Dublin (2013) ░ Techn. Univ. Berlin (2013) ░ Houk group, UCLA (2012) ░ Univ. Belgrade (2012) ░ Univ. Tromsø (2011)

Public engagement


01/2018 Panel member ALLEA Workshop "Ethical aspects of Open Access: A Windy Road", Brussels (BE)
10/2017 Panel member SAPEA Workshop, Talinn (EE) (cancelled because of family circumstances)
09/2017 Panel member SAPEA Workshop, Madrid (ES)
09/2017 Panel member AE/ALLEA/YAE meeting, Budapest (HU)
05/2012 TEDxUdG, "I'm a Chemist....."

Research funding


I have secured over 3m EUR for science, outreach and equipment from the Spanish and Catalan Governments, the European Union (FP7, H2020) and Industry. The type of grants includes COST Action, FetOpen, Marie Curie Fellowships x2, Juan de la Cierva Fellowships x2, Europa Excelencia, and Proyectos de Excelencia I+D (including associated PhD fellowships).

Supervision, teaching, and examining


I have been engaged with different forms of teaching ranging from tutoring secondary-school scholars, to lecturing Erasmus, Bachelor, Master, PhD students and postgrads. Since 2009 I supervised more than 15 postdocs and 30 PhD, Master, undergraduate, and summer students. I frequently act as external PhD examiner in Spain and abroad, both as reading committee and tribunal member. I form part of the FWO Evaluation Panel for Chemistry (Flanders), and formed part of LaCaixa panel for PhD fellowships, Spanish national evaluation agency (ANEP) for postdoctoral fellowships and short-term visits of staff members, and was member of the BSC/RES Users Committee. I am expert for evaluations of research proposals of ANEP, DFG, FWO, FWF, GACR, NWO, PRACE, Royal Society, SARA, SNF.

Selected administrative duties and committee work


10/2019-present Member Advisory Council of Young Academy of Europe (YAE)
11/2018-10/2019 Outgoing Chair Young Academy of Europe (YAE)
04/2018-present Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
04/2018-present Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
03/2018-present External Scientific Advisory Board, Foster Open Science +
01/2018-present Member of UdG committee for Quality Control
05/2017-present Member Higher Education, Research and Culture in European Societies (HERCulES) group
01/2017-11/2018 Chair of the Young Academy of Europe (YAE) and YAE representative at Academia Europaea Board of Trustees, and at Academia Europaea Communications Group
09/2016-10/2019 Board Member of the Young Academy of Europe (YAE)
03/2016-present Member Management Board, Catalonian Research Network Theoretical and Computational Chemistry (XRQTC)
07/2015-12/2017 Member of UdG University Council, UdG Committee for Research and Doctorate Studies, UdG Committee for Personnel, UdG Committee for International Policy
04/2014-10/2019 Member of Comitél de Usuarios de la Red Española de Supercomputación (CURES)
03/2012-03/2014 Member of UdG Committee for Doctoral Programme in Chemistry
03/2012-present Member of UdG Claustre

Academic leadership


Selected Conference, Seminar, and Colloquium organisation:

04/2018 Girona Seminar on Predictive Catalysis: Transition-Metal Reactivity by Design (gender-balanced invited speaker list; presence of Prof B Feringa, Nobel Laureate Chemistry 2016); including support for Young Researchers Symposium (Girona, ES)
06/2017 "Progress in Theoretical Chemistry: Biomolecules and Materials" Symposium at XXXVI Reunión Bienal RSEQ (Sitges, ES)
07/2016 Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
04/2016 Girona Seminar on Predictive Catalysis: Transition-Metal Reactivity by Design, with gender-balanced invited speaker list, (Girona, ES)
07/2015 Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
06/2015 XXXI Meeting of the XRQTC Research Network (Girona, ES)
04/2014-04/2018 Chair of COST Action CM1305 (ECOSTBio); Supervision of activities and co-organization of meetings in Girona (09/2014), Marseille (01/2015), Warwick (04/2015), Belgrade (08/2015), Prague (04/2016), Brest (07/2016), Kraków (09/2016), Lisbon (03/2017), Dublin (12/2017), Berlin (04/2018)
09/2012 CECAM/ESF Workshop on "Spin states in biochemistry and inorganic chemistry", highlighted in Nature Chem. 2013, 5, 7-9 (Zaragoza, ES)
06/2010-present Annual DFT Popularity Poll, see guest post on Nature Chemistry's Sceptical Chymist blog

Links with industry


Since 1998 I am developer of the Amsterdam Density Functional program, maintained by SCM (Software for Chemistry & Materials, Amsterdam), with developer (unlimited) site license. Apart from SCM I had projects with industry regarding food taste receptors (Lucta) and catalysis (Repsol).

Editorial responsibilities


03/2016-present Member Editorial Board Inorganica Chimica Acta
10/2015-10/2016 Associate Editor RSC Advances
09/2015-present Member Editorial Board Journal of Molecular Graphics and Modelling
03/2014-present Member Editorial Board Journal of the Serbian Chemical Society
06/2013-12/2015 Editor first text-book on spin states, "Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity" (Wiley, 2015)
03/2013-09/2015 Member Editorial Board Frontiers in Chemistry: Theoretical and Computational Chemistry
06/2013 Guest editor special issue Current Organic Chemistry on "Nanoreactors And Molecular Prisons"
06/2012 Guest editor special issue Current Inorganic Chemistry on "Chameleon-like behavior of transition-metal complexes"
02/2006-present Member Editorial Board Journal of Computational Methods in Science and Engineering
Reviewer activity See profile at Publons

Memberships academies and scientific societies


2019-present Member of Academia Europaea
2018-present Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
2018-present Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
2015-present Fellow of Royal Society of Chemistry
2014-2019 Fellow of Young Academy of Europe
2017-present Member EuroScience
2015-present Member American Chemical Society
2011-present Member Society of Bioinorganic Chemistry
2009-present Member Spanish Chemical Society (RSEQ)
2008-present Member Catalan Chemical Society (SCQ)
2006-present Member Research Network XRQTC