12/2024-now
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Part-time (10%) Full Professor at University of Girona
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09/2009-now
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ICREA Professor at IQCC, University of Girona
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07/2015-06/2023
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Director IQCC institute, 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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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 |
08/1996
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MSc Organic Chemistry, University of Groningen (Netherlands)
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2025
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2025 Dalton Horizon Prize: awarded for the discovery and characterization of reactive ligands for high-valent iron-oxo oxidants
Press: [Univ. Girona] [IQCC] [Carnegie Mellon Univ.] [Diari de Girona] [El Punt Avui] [Europa Press] [IY Magazine] [Industria Química] [InfoBae] Full team: Faiza Ahsan, PhD student Swart Lab, Universitat de Girona Bittu Chandra, Postdoc Que Lab, University of Minnesota Abhishek Das, Postdoc Que Lab, University of Minnesota Yisong Guo, PI, Guo Lab, Carnegie Mellon University Mehmet Jahja, MSc Student, Visiting Swart Lab, Universitat de Girona Sami Mahri, MSc Student, Visiting Swart Lab, Universitat de Girona Nabhendu Pal, Postdoc Que Lab, University of Minnesota Lawrence Que Jr., PI, Que Lab, University of Minnesota Yuan Sheng, PhD student Que Lab, University of Minnesota Marcel Swart, PI, Swart Lab, ICREA and Universitat de Girona Jin Xiong, Postdoc Guo Lab, Carnegie Mellon University Victor G. Young, X-ray Crystallographic Laboratory Director, University of Minnesota 
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2019
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Elected Member of Academia Europaea
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2017
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Special award in honour of 120 years anniversary of Serbian Chemical Society for my
continuous support for advancing chemical sciences in Serbia, as first and only foreigner
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2017
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Award for Best Paper in 2016 at the University of Belgrade (Serbia) with Maja Gruden
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2015
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Elected Fellow of Royal Society of Chemistry
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2014
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Elected Fellow of Young Academy of Europe
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2012
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MGMS Silver Jubilee Prize from Molecular Graphics and Modelling Society
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2010
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Premi Extraordinari for best PhD thesis under my supervision: Dr. Sílvia Osuna
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2009
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ICREA Senior Research Professorship (permanent position) awarded
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2009
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Premi Extraordinari for best PhD thesis under my supervision: Dr. Mireia Güell
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2006
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ICREA Júnior Fellowship awarded (2006-2011)
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2005
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Young Scientist Excellent Award received from International Conference of
Computational Methods in Science and Engineering (ICCMSE), Loutraki, Greece
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06/2026
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Member of International Scientific Committee ICCC 2026 (Odense, DK)
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04/2023
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Member International Scientific Committee 2023 FrenchBIC annual meeting (Logonna-Daoulas, FR)
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10/2021
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Member International Scientific Committee HPC-Europa3 Transnational Access Meeting (Amsterdam, NL)
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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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06/2010-now
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Annual DFT Popularity Poll, see guest post on Nature
Chemistry's Sceptical Chymist blog
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06/2026
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Member of International Scientific Committee ICCC 2026 (Odense, DK)
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07/2024
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"Coordination Chemistry of High-Valent Oxidants"
Symposium at 45th International Coordination Chemistry Conference
(main organizers: Aidan McDonald, Wesley Browne, MS) |
06/2023
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"Chemical Reactivity: Computational Methods and Applications"
Symposium at XXXIX Reunión Bienal RSEQ (Zaragoza, ES)
(main organizers: Carme Rovira, MS) |
05/2023
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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
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Member International Scientific Committee 2023 FrenchBIC annual meeting (Logonna-Daoulas, FR)
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04/2023
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"30 years IQC(C)"
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10/2021
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Member International Scientific Committee HPC-Europa3 Transnational Access Meeting (Amsterdam, NL)
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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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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)
(main organizers: Anna Company, Miquel Costas, Sílvia Osuna, Xavi Ribas, MS) |
06/2017
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"Progress in Theoretical Chemistry: Biomolecules and Materials"
Symposium at XXXVI Reunión Bienal RSEQ (Sitges, ES)
(main organizers: Nuria López, Gonzalo Jiménez-Osés, MS) |
07/2016
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Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
(main organizers: Wesley Browne, Carole Duboc, Ricardo Louro, Edwin Otten, MS) |
04/2016
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Girona Seminar on Predictive Catalysis: Transition-Metal Reactivity by
Design, with gender-balanced invited speaker list, (Girona, ES)
(main organizers: Anna Company, Miquel Costas, Sílvia Osuna, Xavi Ribas, MS) |
07/2015
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Summer Training School COST Action CM1305 (ECOSTBio) (Groningen, NL)
(main organizers: Wesley Browne, Carole Duboc, Ricardo Louro, Edwin Otten, MS) |
06/2015
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XXXI Meeting of the XRQTC Research Network (Girona, ES)
(main organizers: Lluis Blancafort, Sílvia Osuna, MS) |
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)
(main organizers: Mikael Johansson, MS) |
08/2022-now
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04/2022-now
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01/2022-now
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Editor Inorganica Chimica Acta (impact)
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06/2021-now
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Member Editorial College SciPost Chem
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09/2015-now
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Member Editorial Board Journal of Molecular Graphics and Modelling (impact)
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03/2014-now
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Member Editorial Board Journal of the Serbian Chemical Society (impact)
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02/2006-02/2024
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Member Editorial Board Journal of Computational Methods in Science and Engineering
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07/2020-12/2021
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Assoc. Editor Inorganica Chimica Acta
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03/2016-06/2020
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Member Editorial Board Inorganica Chimica Acta
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10/2015-10/2016
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Associate Editor RSC Advances
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06/2013-12/2015
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Editor first text-book on spin states, "Spin states in biochemistry and
inorganic chemistry: Influence on Structure and Reactivity" (Wiley, 2015)
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06/2013
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Guest editor special issue Current Organic Chemistry on "Nanoreactors
And Molecular Prisons"
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06/2012
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Guest editor special issue Current Inorganic Chemistry on "Chameleon-like
behavior of transition-metal complexes"
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Reviewer activity
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See profile at Publons and at ORCID
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05/2023
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Pint of Science, Girona
Invited talk: "El ball del combustible humà" |
02/2022
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COST Academy event Sustainability of COST Actions, COST Association, (online)
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02/2021
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QBtopIC discussion panel (session leader), QBIC Society, (online)
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02/2021
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COST Action Chairs Forum, COST Association, (online)
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10/2019
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Discussion meeting Young Science and Engineering Network, Groningen (NL)
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05/2019
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Promotor Doctor Honoris Causa Prof. EJ Baerends, Girona (ES)
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09/2018
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Validation workshop for 'Study on career impacts of ERC funding', Brussels (BE)
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04/2018
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Annual meeting EuroDoc, Tampere (FI)
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04/2018
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Panel member Foster Open Science (H2020), Barcelona (ES)
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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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06/2023-now
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Member of the SAPEA Working Group related to the work package on ‘Early and mid-career researchers’ (WP6)
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04/2023-now
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Member of Steering Committee for Academia Europaea Barcelona Knowledge Hub
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04/2018-11/2025
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06/2019-present
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Member of UdG committee for Communication
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10/2019-08/2024
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Member Advisory Council of Young Academy of Europe (YAE)
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09/2019-06/2023
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Member of UdG Steering Committee for HRS4R
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04/2019-08/2023
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Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
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03/2012-05/2023
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Member of UdG Claustre
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05/2017-12/2022
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Member Higher Education, Research and Culture in European Societies (HERCulES) group
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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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01/2018-09/2021
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Member of UdG committee for Quality Control, and committee for International Policy
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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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04/2014-10/2019
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Member of Comité de Usuarios de la Red Española de Supercomputación (CURES)
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11/2018-10/2019
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Outgoing Chair Young Academy of Europe (YAE)
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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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03/2018-09/2019
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External Scientific Advisory Board, Foster Open Science +
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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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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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03/2012-03/2014
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Member of UdG Committee for Doctoral Programme in Chemistry
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2020-now
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Member American Association for the Advancement of Science
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2019-now
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2018-2025
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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-now
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2011-now
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Member Society of Bioinorganic Chemistry
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2009-now
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Member Spanish Chemical Society (RSEQ)
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2008-now
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Member Catalan Chemical Society (SCQ)
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2017-2024
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Member EuroScience
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2018-2023
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Founding Member and Vice-President Quantum-BioInorganic Chemistry (QBIC) Society
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2006-2020
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Member Research Network XRQTC
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2014-2019
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2015-2018
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Member American Chemical Society
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02/2024
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Visits by high schools to IQCC: INS Celestí Bellera, INS Josep Brugulat, INS Narcís Monturiol and INS Montgrí
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05/2023
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A Pint of Science
Invited talk: "El ball del combustible humà" |
03/2023
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Visits by high schools to IQCC: INS Sagulla Blanes, INS de Celrà and Les Alzines
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02/2023
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Un dia en la #UdGRecerca: Popular science talk for high-schools in Catalonia, "I"m a Chemist..... (Sóc químic)", 4 schools, 140 pupils
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09/2022
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IQCC Challenge on "Density functional developments" with Prof John Perdew and Frederico Martins (IQCC)
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12/2021
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Visits by high schools to IQCC: INS Celrà
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10/2021
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Un dia en la #UdGRecerca: Popular science talk for high-schools in Catalonia, "I"m a Chemist..... (Sóc químic)", 22 schools, 700 pupils
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06/2021
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V Jornades d’Investigadors Predoctorals de la UdG
Invited lecture: "Open science" |
02/2021
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First QBtopIC on Spin states
(Session leader) |
02/2021
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Visits by high schools to IQCC: INS Salvador Espriu
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11/2020
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Un dia en la recerca a la UdG (Setmana de la Ciència): Popular science talk for high-schools in Catalonia, "I"m a Chemist..... (Sóc químic)", 9 schools, 390 pupils
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11/2020-now
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11/2018
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Visit to INS Llagostera; (high-school, Girona), Dia de
La ciència en primera persona
2018 program, "I'm a Chemist....."
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11/2017
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Visit to INS Ermessenda; (high-school, Girona), Dia de
La ciència en primera persona
2017 program, "I"m a Chemist....."
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11/2016
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Visit to INS Santiago Sobrequés; (high-school, Girona), Dia de
La ciència en primera persona
2016 program, "I"m a Chemist....."
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2015-now
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11/2015
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Visit to INS Salvador Espriu - CRP del Gironès; (high-school, Girona), Dia de
La ciència en primera persona
2015 program, "I"m a Chemist....."
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2014-2015
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01/2014
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Matins de la Química, XI Edició Popular science talk, "Sóc Químic....." (I'm a Chemist.....) Facultat de Ciències, Univ. Girona |
11/2013
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05/2013
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Host at Fira de la Ciència de Secundària de Química (visit by high-school students at Science Park of Univ. Girona), [video] |
03/2013
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Invited popular science paper in Anales de Química, "Regioselectividad en fullerenos, una visión computacional", An. Quím 2013, 109, 11-19, [pdf]
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11/2012
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Visit to INS Vilablareix (high-school, Girona), La ciència en primera persona program,
"I'm a Chemist....." Plus interview by high-school students |
05/2012
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2011
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Member of CatQuímica.Cat team, blog created for International Year of Chemistry
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2009
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