Personal details
Appointments
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07/2015-present
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Director IQCC institute, University of Girona
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09/2009-present
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ICREA Research Professor at IQCC, University of Girona
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05/2006-09/2009
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ICREA Junior Fellow at IQC, University of Girona
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05/2004-05/2006
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VICI Postdoctoral Fellow Prof. Bickelhaupt, VU University of Amsterdam
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05/2002-05/2004
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Chemistry of Complex Molecules Postdoctoral Fellow, VU University of Amsterdam
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Education
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03/1998-09/2002
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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
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08/1996
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MSc Organic Chemistry, University of Groningen (Netherlands)
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Honors and awards
Invited speaker
(selected Invited * , Keynote ** , Plenary *** talks; M major conferences; ; 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
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2023 **
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6th EuChemS Inorganic Chemistry Conference (EICC6), Vienna (AT)
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2022 * M
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44th International Conference on Coordination Chemistry (ICCC), Rimini (IT)
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2022 *
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Virtual Integration of Synthesis with Theory and AI (VISTA) Computational Catalysis conference (VISTA-2022), Mülheim (DE)
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2020 * M,c
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15th European Biologic Inorganic Chemistry conference (EuroBic), Reykjavik (IS)
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2020 *
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Metals in Biology Gordon Research Conference (GRC-2020, Late Breaking talk), Ventura (CA, USA)
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2019 *
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35th Winter School in Theoretical Chemistry 2019: Inorganic Chemistry, Helsinki (FI)
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2019 * M
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19th International Conference on Biological Inorganic Chemistry (ICBIC), Interlaken (CH)
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2019 *
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7th international conference on Biological Inorganic Chemistry (CANBIC7), Parry Sound (CAN)
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2018 *
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Annual Joint Meeting Academia Euopaea and Young Academy of Europe (Building Bridges), Barcelona (ES)
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2018 *
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11th Congress on Electronic Structure and Principle (ESPA2018), Toledo (ES)
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2018 * M
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16th International Conference on Quantum Chemistry (ICQC), Menton (FR)
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2017 * M
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Congress of World Association of Theoretical/Computational Chemists (WATOC), Munich (DE)
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2017 **
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FemEx 2017. Promoting female excellence in theoretical chemistry, Putten (NL)
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2017 **
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The Netherlands Catalysis and Chemistry Conference (N3C), Noordwijkerhout (NL)
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2017 ***
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PAC Symposium, Utrecht (NL)
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2016 ***
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VII Current Trends in Theoretical Chemistry, Kraków (PL)
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2016 ***
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53rd Annual meeting of Serbian Chemical Society, Kragujevac (RS)
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2008 **
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9th European Biological Inorganic Chemistry (EuroBic) conference, Wroclaw (PL)
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Furthermore, I have given more than 20 invited talks at institutions and research labs (selection):
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
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01/2018
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Panel member ALLEA Workshop "Ethical aspects of Open Access: A Windy Road", Brussels (BE)
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10/2017
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Panel member SAPEA Workshop, Talinn (EE) (cancelled because of family circumstances)
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09/2017
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Panel member SAPEA Workshop, Madrid (ES)
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09/2017
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Panel member AE/ALLEA/YAE meeting, Budapest (HU)
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05/2012
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TEDxUdG, "I'm a Chemist....."
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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
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09/2021-11/2021
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Member Scientific Committee TAM meeting (HPC Europa3, H2020-INFRAIA-2016-1)
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10/2019-present
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Member Advisory Council of Young Academy of Europe (YAE)
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11/2018-10/2019
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Outgoing Chair Young Academy of Europe (YAE)
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04/2018-present
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Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
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04/2018-present
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Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
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03/2018-present
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External Scientific Advisory Board, Foster Open Science +
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01/2018-present
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Member of UdG committee for Quality Control
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05/2017-present
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Member Higher Education, Research and Culture in European Societies (HERCulES) group
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01/2017-11/2018
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Chair of the Young Academy of Europe (YAE) and YAE representative at
Academia Europaea Board of Trustees, and at Academia Europaea Communications Group
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09/2016-10/2019
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Board Member of the Young Academy of Europe (YAE)
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03/2016-07/2020
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Member Management Board, Catalonian Research Network Theoretical and Computational Chemistry (XRQTC)
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07/2015-12/2017
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Member of UdG University Council, UdG Committee for Research and
Doctorate Studies, UdG Committee for Personnel, UdG Committee for
International Policy
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04/2014-10/2019
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Member of Comitél de Usuarios de la Red Española de Supercomputación (CURES)
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03/2012-03/2014
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Member of UdG Committee for Doctoral Programme in Chemistry
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03/2012-present
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Member of UdG Claustre
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Academic leadership
Selected Conference, Seminar, and Colloquium organisation:
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04/2018
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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)
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06/2017
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"Progress in Theoretical Chemistry: Biomolecules and Materials"
Symposium at XXXVI Reunión Bienal RSEQ (Sitges, ES)
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07/2016
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Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
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04/2016
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Girona Seminar on Predictive Catalysis: Transition-Metal Reactivity by
Design, with gender-balanced invited speaker list, (Girona, ES)
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07/2015
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Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
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06/2015
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XXXI Meeting of the XRQTC Research Network (Girona, ES)
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04/2014-04/2018
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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)
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09/2012
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CECAM/ESF Workshop on "Spin states in biochemistry and inorganic chemistry", highlighted in Nature Chem. 2013, 5, 7-9 (Zaragoza, ES)
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06/2010-present
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Annual DFT Popularity Poll, see guest post on Nature
Chemistry's Sceptical Chymist blog
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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
Memberships academies and scientific societies
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2019-present
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Member of Academia Europaea
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2018-present
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Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
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2018-present
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Founding Member and Vice-President Grupo Especializado Química y Computación (GEQC) of Spanish Chemical Society (RSEQ)
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2015-present
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Fellow of Royal Society of Chemistry
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2014-2019
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Fellow of Young Academy of Europe
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2020-present
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Member American Association for the Advancement of Science
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2017-present
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Member EuroScience
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2015-present
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Member American Chemical Society
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2011-present
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Member Society of Bioinorganic Chemistry
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2009-present
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Member Spanish Chemical Society (RSEQ)
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2008-present
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Member Catalan Chemical Society (SCQ)
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2006-present
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Member Research Network XRQTC
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