Personal details


IQCC Institute, Department of Chemistry
University of Girona (UdG)
ParcUdG (Monturiol P3-A8)
c/ Emili Grahit 91
17003 Girona, Spain
E-mail: marcel.swart@gmail.com
Website: www.marcelswart.eu
Publications: www.marcelswart.eu/publ
ORCID: 0000-0002-8174-8488
Research databases: GScholar, Scopus, Dimensions, ResearcherID
IQCC Institute, Department of Chemistry
University of Girona (UdG)
ParcUdG (Monturiol P3-A8)
c/ Emili Grahit 91
17003 Girona, Spain
E-mail: marcel.swart@gmail.com
Website: www.marcelswart.eu
Publications: www.marcelswart.eu/publ
ORCID: 0000-0002-8174-8488
Research databases: GScholar, Scopus, Dimensions, ResearcherID

Appointments


09/2009-now ICREA Research Professor at IQCC, University of Girona
07/2015-06/2023 Director IQCC institute, 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)

Honors 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

Rankings


12/2022 Included in Ranking of researchers in Spain and Spaniards abroad (2022: #1710)
09/2022 Included in Grupo-DIH Ranking of researchers in Spain by El Grupo para la Difusión del Índice h (DIH)
09/2022 Included in Stanford/Scopus Ranking of researchers (2022: #41655)

Invited speaker

(selected Invited * , Keynote ** , Plenary *** talks; c cancelled due to covid19)

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
2024 * 15th International Conference on Density Functional Theory (DFT2024), Paris (FR)
2024 ** 17th European Biologic Inorganic Chemistry conference (EuroBic), Münster (DE)
2024 * 45th International Coordination Chemistry Conference (ICCC2024), Fort Collins, Colorado (USA)
2024 * Contemporary Coordination Chemistry Copenhagen (C4), Copenhagen (DK)
2024 * Chemistry@Sete: Challenges in Computational Homogeneous Catalysis, Sète (FR)
2023 ** 6th EuChemS Inorganic Chemistry Conference (EICC6), Vienna (AT)
2023 * 6th Quantum Bio-Inorganic Chemistry meeting (QBIC-VI), Warsaw (PL)
2023 * LQ Fest: 40 Years of Fun with Iron Chemistry, Minnesota (USA)
2022 * 44th International Conference on Coordination Chemistry (ICCC), Rimini (IT)
2022 * Virtual Integration of Synthesis with Theory and AI (VISTA) Computational Catalysis conference (VISTA-2022), Mülheim (DE)
2020 * c 15th European Biologic Inorganic Chemistry conference (EuroBic), Reykjavik (IS)
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 * 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 * 16th International Conference on Quantum Chemistry (ICQC), Menton (FR)
2017 * 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):
Hylleraas Centre for Quantum Molecular Sciences, Univ. Oslo (2023) ░ Indian Institute of Technology Roorkee (2021) ░ LMU Univ. Munich (2021) ░ Univ. Oxford (2020) ░ Univ. Sheffield (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


05/2023 Pint of Science, Girona
02/2022 COST Academy event Sustainability of COST Actions, COST Association, (online)
02/2021 QBtopIC discussion panel (session leader), QBIC Society, (online)
02/2021 COST Action Chairs Forum, COST Association, (online)
10/2019 Discussion meeting Young Science and Engineering Network, Groningen (NL)
05/2019 Promotor Doctor Honoris Causa Prof. EJ Baerends, Girona (ES)
09/2018 Validation workshop for 'Study on career impacts of ERC funding', Brussels (BE)
04/2018 Annual meeting EuroDoc, Tampere (FI)
04/2018 Panel member Foster Open Science (H2020), Barcelona (ES)
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


04/2018-11/2025 Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
10/2019-10/2024 Member Advisory Council of Young Academy of Europe (YAE)
04/2018-08/2023 Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
03/2012-05/2023 Member of UdG Claustre
05/2017-12/2022 Member Higher Education, Research and Culture in European Societies (HERCulES) group
09/2021-11/2021 Member Scientific Committee TAM meeting (HPC Europa3, H2020-INFRAIA-2016-1)
01/2018-09/2021 Member of UdG committee for Quality Control
03/2016-07/2020 Member Management Board, Catalonian Research Network Theoretical and Computational Chemistry (XRQTC)
11/2018-10/2019 Outgoing Chair Young Academy of Europe (YAE)
09/2016-10/2019 Board Member of the Young Academy of Europe (YAE)
04/2014-10/2019 Member of Comitél de Usuarios de la Red Española de Supercomputación (CURES)
03/2018-09/2019 External Scientific Advisory Board, Foster Open Science +
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
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
03/2012-03/2014 Member of UdG Committee for Doctoral Programme in Chemistry

Academic leadership


Selected Conference, Seminar, and Colloquium organisation:

06/2023 "Chemical Reactivity: Computational Methods and Applications" Symposium at XXXIX Reunión Bienal RSEQ (Zaragoza, ES)
05/2023 The Academia Europaea & The Wenner-Gren Foundations International Symposium Publishing in Academia: Digital Challenges (main organizers: Lars Engwall, Theo d'Haen, Kirsten Drotner and MS)
04/2023 "30 years IQC(C)"
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-now 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


08/2022-now Collection Advisor Computational Chemistry for Open Research Europe
04/2022-now Community Gateway Advisor Inorganic Chemistry for Open Research Europe
01/2022-now Editor Inorganica Chimica Acta
06/2021-now Member Editorial College SciPost Chem
09/2015-now Member Editorial Board Journal of Molecular Graphics and Modelling
03/2014-now Member Editorial Board Journal of the Serbian Chemical Socie>ty
02/2006-now Member Editorial Board Journal of Computational Methods in Science and Engineering
07/2020-12/2021 Assoc. Editor Inorganica Chimica Acta
03/2016-06/2020 Member Editorial Board Inorganica Chimica Acta
10/2015-10/2016 Associate Editor RSC Advances
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)
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"
Reviewer activity See profile at Publons and at ORCID

Memberships academies and scientific societies


2020-now Member American Association for the Advancement of Science
2019-now Member of Academia Europaea
2017-now Member EuroScience
2015-now Fellow of Royal Society of Chemistry
2011-now Member Society of Bioinorganic Chemistry
2009-now Member Spanish Chemical Society (RSEQ)
2008-now Member Catalan Chemical Society (SCQ)
2018-2025 Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
2018-2023 Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
2006-2020 Member Research Network XRQTC
2014-2019 Fellow of Young Academy of Europe
2003-2018 Member American Chemical Society