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Curriculum Vitae

Curriculum Vitae sections

PERSONAL INFORMATION

Name Marcel Swart
Titles PhD (2002), Prof. (2009), FRSC (2015)
Gender Male
ORCID 0000-0002-8174-8488
ResearcherID A-5083-2008
ScopusID 7005462279
Twitter @Marcel_Swart

EDUCATION

1998-2002 PhD study, University of Groningen (NL)
Supervision: Prof. H.J.C. Berendsen, Prof. G.W. Canters, Prof. J.G. Snijders
PhD ceremony: September 10, 2002
1999 European Summer school in Quantum Chemistry (ESQC), Tjörnarp (SE)
1998 Fifth Sostrup Summer School on Quantum Chemistry, Århus (DK)
1997-2001 Annual winter school Theoretical Chemistry & Spectroscopy, Han-sur-Lesse (BE)
1990-1996 Undergraduate and Master study Chemistry, University of Groningen (NL)

CURRENT POSITION

Jul. 2015 - now Director of Institute of Computational Chemistry and Catalysis (IQCC), University of Girona (ES)
Sep. 2009 - now ICREA Research Professor @ Institute of Computational Chemistry and Catalysis (IQCC), University of Girona (ES)


May 2006 - May 2011 ICREA-Júnior Researcher @ Institute of Computational Chemistry (IQC), University of Girona (ES)
(ended Sep.2009 upon promotion to ICREA Research Professor)
Mar. 1998 - May 2006 Pre-Girona time (PhD, postdoc), see history

HONORS AND AWARDS

May 2006 - now Six journal covers, one VIP paper and two Highly-Cited papers (ISI Essential Science Indicators)
Nov. 2015 Elected Fellow of the Royal Society of Chemistry
Oct. 2014 Elected Member of the Young Academy of Europe
Jun. 2012 Silver Jubilee Prize 2012 of the Molecular Graphics and Modelling Society
Sep. 2011 Premi extraordinari de doctorat en Química 2010 awarded to Dr. Sílvia Osuna
Oct. 2010 Premi extraordinari de doctorat en Química 2009 awarded to Dr. Mireia Güell
Sep. 2009 ICREA Research Professor (permanent) position awarded
Mar. 2006 Selected as Promising young chemist to contribute to special issue ("Inorganic Chemistry - The Next Generation") for 40th anniversary of Inorganica Chimica Acta
Sep. 2005 Young Scientist Excellence Award 2005, International Conference of Computational Methods in Sciences and Engineering (www.iccmse.org)
Jul. 2005 ICREA-Júnior Researcher position awarded

SUPERVISION

current 2 undergraduate students, 6 PhD students, 2 postdocs, see group page
2009 - now Supervision of short research stays (2-10 months) of 11 high-school/Master/PhD students, 3 postdocs and 3 visiting professors
Jul. 2014 Master thesis A. Romero-Rivera, "Mechanism of action of Salen-Manganese antioxidant complexes: The Catalase reaction to neutralize reactive oxygen species" (UdG)
Jun. 2013 Undergraduate thesis A. Romero-Rivera, "Study of reactivity on endohedral fullerene C36 through theoretical chemistry" (UdG)
Mar. 2010 PhD thesis S. Osuna Oliveras (Premi Extraordinari 2010), "Theoretical studies of the exohedral reactivity of fullerene compounds" [pdf] (UdG)
Jul. 2009 PhD thesis M. Güell Serra (Premi Extraordinari 2009), "Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals" [pdf] (UdG)
Sep. 2008 Master thesis Ll. Armangué Fraixinó, "Estudi teòric sobre la caracterització de Citocroms C utilitzant NMR" (UdG)
Jun. 2007 DEA (midterm PhD/Master) thesis S. Osuna Oliveras, "Study of the Diels-Alder reaction on endohedral fullerenes" (UdG)
Apr. 2005 Master thesis T. van der Wijst, "Proper descriptions of the interaction between stacked DNA bases and Watson-Crick base pairs using density functional theory" (VU)

OFFSPRING

2012 - 2016 Sílvia Osuna, RyC Fellow, ERC-StG holder, Girona
2012 - 2013 Alexandra Carvalho, independent group leader (investigador FCT, starting Jan. 2017), Coimbra
2010 - 2013 Mikael Johansson, Independent Group Leader, Helsinki
2009-2012 Jordi Poater, ICREA Research Professor, Barcelona

FUNDING

Now Three PhD scholarships, two postdoctoral positions, six R&D projects (1.6M €)
Past One PhD scholarship, five postdoctoral positions, eight R&D projects (1.1M €)

ORGANISATION OF SCIENTIFIC MEETINGS

Jun. 2017 "Progress in Theoretical Chemistry: Biomolecules and Materials" Symposium at XXXVI Reunión Bienal RSEQ (Sitges, ES)
Jul. 2016 Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
Apr. 2016 Girona Seminar on Predictive Catalysis: Transition-Metal Reactivity by Design (Girona, ES)
Jul. 2015 Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
Jun. 2015 XXXI Meeting of the XRQTC Research Network (Girona, ES)
Sep. 2014 First Scientific Meeting of COST Action CM1305 (ECOSTBio) (Girona, ES)
Sep. 2012 CECAM/ESF Workshop on "Spin states in biochemistry and inorganic chemistry", highlighted in Nature Chem. 2013, 5, 7-9 (Zaragoza, ES)
2010 - now DFT Popularity Poll (DFT10-DFT1x), see also this guest post on Nature Chemistry's Sceptical Chymist blog
2006 - 2012 Member of local organizing committee Girona Seminar series

INSTITUTIONAL RESPONSIBILITIES

Oct. 2016 - now Member of University Committee for Personnel (Comissió Delegada de Personal del Consell de Govern), University of Girona (ES)
Sep. 2016 - now Board Member of Young Academy of Europe
May 2016 - now Member of Management Board Catalonian Reference Network on Theoretical and Computational Chemistry (XRQTC)
Oct. 2015 - Oct. 2016 Associate Editor RSC Advances
Jul. 2015 - now Director of Institute of Computational Chemistry and Catalysis (IQCC), University of Girona (ES)
Jul. 2015 - now Member of University Council (Consell de Govern), University of Girona (ES)
Jul. 2015 - now Member of University Claustre, University of Girona (ES)
Jul. 2015 - now Member of University Committee for Research, Technology Transfer and Doctorate Studies (Comissió Delegada de Recerca, Transferència i Doctorat del Consell de Govern), University of Girona (ES)
2014-2018 Action Chair for COST Action CM1305 (ECOSTBio): Coordinator for organization of COST Action Scientific and Management Committee Meetings
2014 - now Member of "Open Science Task Force" of Young Academy of Europe, including participation at workshop "Vision on Open Science in 2030", European Commission
2012 - 2016 Elected member of Claustre (official body of the University that has a controlling function and has to approve annually the activities of the Rector), University of Girona, Spain
(switched to automatic member upon becoming Director IQCC in July 2015)
2012 - now Member of the Permanent Committee, Institute of Computational Chemistry and Catalysis (IQCC), University of Girona, Spain
2009 - now Faculty member, University of Girona, Spain
2006 - now Graduate Student Advisor, University of Girona, Spain

COMMISSIONS OF TRUST

Mar. 2016 - now Editorial Board Inorganica Chimica Acta
Sep. 2015 - now Editorial Board Journal of Molecular Graphics and Modelling
Jun. 2014 - now Member of Comité de Usuarios de la Red Española de Supercomputación (CURES)
Mar. 2014 - now Editorial Board Journal of the Serbian Chemical Society
2014 Member of QMC-FPD committee of Agencia Nacional de EvaluaciĆ³n y Prospectiva (ANEP) for postdoctoral positions (Juan de la Cierva), Spain
2013 - 2015 Editor Wiley book (release Dec. 2015) on "Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity", see books page
Jan. 2012 - now Editorial Board Computational Chemistry Highlights
2011 Member of QMC-PROEXT2011 committee (ANEP) for short-term visits by staff members
2011 Member of QMC-BEX2011 committee (ANEP) for postdoctoral scholarships abroad
Feb. 2006 - now Editorial Board Journal of Computational Methods in Science and Engineering

MEMBER OF PHD/MASTER COMMITTEES

2017 PhD defense C.A. Gaggioli, Univ. Perugia
2016 PhD defense E. Monza, Univ. Politecnica de Catalunya (BSC)
2016 PhD defense D. Angelone, Univ. Groningen
2016 PhD defense F. Peccati, Univ. Autonoma Barcelona
2015 PhD defense T.C. Pijper, Univ. Groningen
2015 PhD reading-committee T.C. Pijper, Univ. Groningen
2014 PhD defense M. Ortuño, Univ. Autonoma Barcelona
2013 PhD-defense G. Salassa, ICIQ Tarragona
2013 (substitute) PhD defense I. Prat, Univ. Girona
2011 (substitute) PhD defense I. Garcia-Bosch, Univ. Girona
2011 PhD defense A. Domingo, URV Tarragona
2011 PhD defense W.J. van Zeist, VU Univ. Amsterdam
2011 PhD defense R. Valencia, URV Tarragona
2011 PhD defense F. Feixas, Univ. Girona
2010 (substitute) PhD defense N. Queralt, URV Tarragona
2009 Master defense E. Horbatenko, L. Mercado, E. Ramos, Univ. Girona
2009 PhD defense C. Acosta, Univ. Autonoma Barcelona
2008 PhD defense M. van Bochove, VU Univ. Amsterdam
2006 PhD defense M. van den Bosch, Leiden Univ.

MEMBER OF EDITORIAL BOARDS

Mar. 2016 - now Editorial Board Inorganica Chimica Acta
Sep. 2015 - now Editorial Board Journal of Molecular Graphics and Modelling
Mar. 2014 - now Editorial Board Journal of the Serbian Chemical Society
Mar. 2013 - Sep. 2015 Editorial Review Board Frontiers in Chemistry: Theoretical and Computational Chemistry
Jan. 2012 - now Editorial Board Computational Chemistry Highlights
Feb. 2006 - now Editorial Board Journal of Computational Methods in Science and Engineering

EDITOR BOOKS AND JOURNALS

Oct. 2015 - Oct. 2016 Associate Editor RSC Advances
2013 - 2015 Editor Wiley book (release date Dec. 2015) on "Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity"
2013 Guest Editor (together with Sílvia Osuna) of Special Issue of Current Organic Chemistry, titled "Nanoreactors And Molecular Prisons"
2012 Guest Editor of Special Issue of Current Inorganic Chemistry, titled "Chameleon-like behavior of transition-metal complexes"

REVIEWER

2002 - now Scientific journals
Acc. Chem. Res. — Centr. Eur. J. Chem. — Chem. Commun. — Chem. Eur. J. — ChemPhysChem — Chem. Phys. Lett. — Chem. Sci. — Comput. Theor. Chem. — Coord. Chem. Rev. — Dalton Trans. — Eur. J. Inorg. Chem. — Inorg. Chem. — Inorg. Chim. Acta — Int. J. Quant. Chem. — J. Am. Chem. Soc. — J. Biomol. Struct. Dyn. — J. Chem. Inf. Model. — J. Chem. Theory Comput. — J. Comput. Chem. — J. Inorg. Bioch. — J. Mol. Graph. Model. — J. Mol. Model. — J. Organomet. Chem. — J. Phys. Chem. A/B/C — J. Phys. Chem. Lett. — Mol. Phys. — Mol. Simulat. — Monatsh. Chem. — Nature Chem. — New. J. Chem. — Org. Biomol. Chem. — Organometallics — Phys. Chem. Chem. Phys. — PLOS One — RSC Adv. — SoftMatter — Theochem — Theor. Chem. Acc.
(total number of reports since Sep 2009: >400)
2006 - now Scientific agencies
  • Netherlands Organization for Scientific Research (NWO)
  • Research Foundation Flanders (FWO)
  • Agencia Nacional de Evaluación y Prospectiva (ANEP): expert
  • Agencia Nacional de Evaluación y Prospectiva (ANEP): member of evaluation committees
  • Partnership for Advanced Computing in Europe - Research Infrastructure (PRACE-RI.eu)

MEMBERSHIPS OF SCIENTIFIC SOCIETIES

2015 - now Fellow, Royal Society of Chemistry
2014 - 2019 Member, Young Academy of Europe
2015 - now Member, American Chemical Society
2010 - now Member, Society of BioInorganic Chemistry
2009 - now Member, Real Sociedad Española de Química
2008 - now Member, Societat Catalana de Química
2006 - now Member, XRQTC network
1998 - 2006 Member, Koninklijke Nederlandse Chemische Vereniging