Funding

The main source of IQCC funding comes from projects obtained from competitive calls at local, national or European level. In order to increase the quality of the research carried out at the institute, IQCC pretends to maintain and increse its level of internationalization by increasing its participation in international networks and getting funding from competitive European/international projects. The main scientific projects led or participated by IQCC members are detailed in this section.


ERC Projects

ERC


ERC Consolidator Grants


Project: Fast yet accurate routine rational design of novel enzymes (FASTEN)
Researcher: Dr Sílvia Osuna
Reference: ERC-2022-CoG-101088032
Funding: 1.996.250 €
Period: 01/10/2023 – 30/09/2028



ERC Advanced Grants


Project: Enantioselective C-H Oxidation Guided by Rational Catalyst Design (ECHOGRADE)
Researcher: Dr Miquel Costas
Reference: ERC-2019-AdG-883922
Funding: 2.500.000 €
Period: 01/01/2021 – 31/12/2025



ERC Proof of Concept


Project: Computational design of industrial enzymes for green chemistry (GREENZYME)
Researcher: Dr Sílvia Osuna
Reference: ERC-2022-PoC2-101112805
Funding: 150.000 €
Period: 01/05/2023 – 31/10/2025



Marie Skłodowska-Curie Actions

ERC


Marie Skłodowska-Curie


Project: Fullerene_PSC
Researcher: Dr. Sergio Posada-Pérez (M. Solà)
Reference: H2020-MSCA-IF-2020-101020330
Funding: 160.932,48 €
Period: 01/09/2022 – 31/08/2024


Grant: HORIZON-MSCA-2022-CITIZENS-01
Project: #NitRecerCat: La Nit Europea de la Recerca
Researcher: Dr. Sílvia Simon
Reference: HORIZON-MSCA-2022-101061189
Funding: 300.000 €
Period: 01/05/2022 – 31/04/2024
Project: Full-Fission
Researcher: Dr. Albert Artigas (M. Solà)
Reference: H2020-MSCA-2022-PF-101106492
Funding: 181.152,96 €
Period: 03/04/2024 – 02/04/2026


Project: ICAT-PACHO
Researcher: Dr. Marco Galeotti (M. Costas)
Reference: H2020-MSCA-2022-PF-101106196
Funding: 165.312,96 €
Period: 01/05/2023 –30/04/ 2025

ICREA Acadèmia Awards

ERC


Project: Programa ICREA Acadèmia 2019
Researcher: Dr. Anna Company
Reference: ICREA Acadèmia 2019
Funding: 205.000 €
Period: 01/01/2020 – 31/12/2024
Project: Programa ICREA Acadèmia 2019
Researcher: Dr. Albert Poater
Reference: ICREA Acadèmia 2019
Funding: 205.000 €
Period: 01/01/2020 – 31/12/2024


Project: Programa ICREA Acadèmia 2020
Researcher: Dr. Xavi Ribas
Reference: ICREA Acadèmia 2020
Funding: 205.000 €
Period: 01/01/2021 – 31/12/2025


EU Projects


Project: Fluorescence and Reactive oxygen Intermediates by Neutron Generated electronic Excitation as a foundation for radically new cancer therapies
Researcher: Dr. Lluís Blancafort
Reference: H2020-FETOPEN-2018-2020 (EU Code: 828922)
Funding: 336.250€ (total: 3.979.485€)
Period: 01/11/2019 – 31/10/2024


MICIU Projects

MCIU


MICIU Proyectos I+D


Project: Estructura electrónica, propiedades y reactividad de moléculas bajo campos eléctricos
Researcher: Dr. Josep Maria Luis and Dr. Pedro Salvador
Reference: PID2022-140666NB-C22
Funding: 131.250 €
Period: 01/09/2023 – 31/08/2026
Project: Modelado Computacional Integrativo de Procesos Bioquímicos y Biocatalíticos: Desde la Comprensión hasta el Diseño
Researcher: Dr. Marc Garcia-Borràs and Dr. Ferran Feixas
Reference: PID2022-141676NB-I00
Funding: 168.750 €
Period: 01/09/2023 – 31/08/2026


Project: Funcionalización regioselectiva de moléculas esféricas con máscaras supramoleculares y síntesis bottom-up de nanografenos
Researcher: Dr. Xavi Ribas
Reference: PID2022-136970NB-I00
Funding: 281.250 €
Period: 01/09/2023 – 31/08/2026
Project: Simulating Phase Effects on Excited States
Researcher: Dr. Lluís Blancafort
Reference: PID2022-138062NB-I00
Funding: 131.250 €
Period: 01/09/2023 – 31/08/2026


Project: Tecnologias de química supramolecular para materiales fotovoltaicos de nueva generación basados en carbono
Researcher: Dr. Xavi Ribas and Dr. Agustí Lledó
Reference: TED2021-130573B-100
Funding: 322.000 €
Period: 01/12/2022 – 30/11/2024
Project: Diseño y caracterización computacional de fotoelectro-biocatalisis heterogenea soportada por fotoelectrodos
Researcher: Dr. Ferran Feixas and Dr. Marc Garcia-Borràs
Reference: TED2021-130173B-C42
Funding: 125.350 €
Period: 01/12/2022 – 30/11/2024


Project: Diseño computacional de enzimas conformacionalmente dirigido para mejorar la actividad aislada o en complejo
Researcher: Dr. Sílvia Osuna
Reference: PID2021-129034NB-100
Funding: 157.300 €
Period: 01/09/2022 – 31/08/2025
Project: Polímeros reciclables basados en lactonas bicíclicas híbridas preparadas mediante oxidación selectiva de enlaces sp3 C-H
Researcher: Dr. Miquel Costas and Dr. Arnau Call
Reference: TED2021-132648B-100
Funding: 287.500 €
Period: 01/12/2022 – 30/11/2024


Project: Catàlisis predictiva para cambiar el oden secuencial entre experimentos i cálculos
Researcher: Dr. Albert Poater
Reference: PID2021-127423NB-100
Funding: 133.100 €
Period: 01/09/2022 – 31/08/2025
Project: Catalizadores moleculares bioinspirados para la funcionalización estereoselectiva de enlaces sp2 y sp3 C-H
Researcher: Dr. Miquel Costas and Dr. Arnau Call
Reference: PID2021-129036NB-100
Funding: 326.700 €
Period: 01/09/2022 – 31/08/2025


Project: Diseño y síntesis de fullerenos para la construcción de celdas solares híbridas de perovskita y fulerenos de alto rendimiento. Un enfoque experimental y computacional sinérgico
Researcher: Miquel Solà and Dr. Anna Pla-Quintana
Reference: PID2020-113711GB-I00
Funding: 211.750 €
Period: 01/09/2021 – 31/08/2024
Project: Evolución computacional de nuevos (bio)catalizadores
Researcher: Dr. Sílvia Osuna
Reference: PDC2022-133950-100
Funding: 143.750 €
Period: 01/12/2022 – 31/12/2024


Project: Ligandos no inocentes como plaraformas para la funcionalización de enlaces C-H y C=C con grupos oxo, nitrenos y carbenos
Researcher: Dr. Anna Company
Reference: PID2019-106699GB-I00
Funding: 108.900 €
Period: 01/06/2020 – 31/05/2024
Project: Flexible confined spaces for bioinspired chemistry
Researcher: Dr Agustí Lledó
Reference: PID2020-113181GB-I00
Funding: 102.850 €
Period: 01/09/2021 – 31/08/2024


Project: Correlating functionality
Researcher: Dr Marcel Swart
Reference: PID2020-114548GB-I00
Funding: 121.000 €
Period: 01/09/2021 – 31/08/2024


Juan de la cierva


Project: Juan de la Cierva – Incorporación
Researcher: Dr. Arnau Call
Reference: IJC2020-046115-I
Funding: 93.000 €
Period: 01/01/2022 – 31/12/2024
Project: Juan de la Cierva
Researcher: Dr. Mursaleem Ansari (M. Swart)
Reference: JDC2022-049287-I
Funding: 67.400 €
Period: 2024-2025


Project: Juan de la Cierva – Formación
Researcher: Dr. Muthuramalingam Sethuraman (X. Ribas)
Reference: FJC2021-047874-I
Funding: 52.600 €
Period: 01/01/2023 – 31/12/2024


Ramón y Cajal


Project: Programa Ramón y Cajal
Researcher: Dr. Ferran Feixas
Reference: RYC2020-029552-I
Funding: 324.250
Period: 01/03/2022 – 28/02/2027
Project: Programa Ramón y Cajal
Researcher: Dr. Marc Garcia-Borràs
Reference: RYC2020-028628-I
Funding: 324.250
Period: 01/02/2022 – 31/01/2027


Project: Programa Ramón y Cajal
Researcher: Dr. Arnau Call
Reference: RYC2022-038031-I
Funding: 324.250
Period: 2025 – 2029


REQ


Project: Margarita Salas
Researcher: Dr. Albert Artigas
Reference: REQ2021_A_02
Funding: 79.100 €
Period: 04/04/2022 – 03/04/2024
Project: Ajuts per a la requalificació del professorat universitari funcionari o contractat
Researcher: Dr. Agustí Lledó
Reference: REQ2021_B_05
Funding: 67.670 €
Period: 29/12/2023 – 28/12/2024


Project: Margarita Salas
Researcher: Dr. Md Bin Yeamin
Reference: REQ2021_A
Funding: 70.700 €
Period: 01/02/2022 – 31/1/2024
Project: María Zambrano
Researcher: Dr. Olga Stasyuk
Reference: REQ2021_C_31
Fimdomg: 99.500 €
Period: 01/12/2022 – 29/11/2024


Project: María Zambrano
Researcher: Dr. Yago García Rodeja
Reference: REQ2021_C_11
Funding: 99.500 €
Period: 25/4/2022 – 24/3/2024
Project: María Zambrano
Researcher: Dr. Sakar Rudraditya
Reference: REQ2021_C_29
Fimdomg: 99.500 €
Period: 17/3/2022 – 16/2/2024


Project: Margarita Salas
Researcher: Dr. Stuart Kennington
Reference: REQ2021_A
Funding: 70.700 €
Period: 01/04/2022 – 31/3/2024


Redes Temáticas


Project: ORGANOMETALLIC CHEMISTRY FOR SUSTAINABLE SOLUTIONS
Researcher: Dr. Anna Pla-Quintana and Dr. Miquel Costas
Reference: RED2022-134074-T
Funding: 20.390 €
Period: 2023 – 2024
Project: FOTOVOLTAICA AVANZADA
Researcher: Dr. Miquel Solà
Reference: RED2022-134939-T
Funding: 20.390 €
Period: 2023-2024


Project: CATÁLISIS ASIMÉTRICA
Researcher: Dr. Miquel Solà, Dr. Anna Roglans and Dr. Miquel Costas
Reference: RED2022-134331-T
Funding: 20.390 €
Period: 2023 – 2024

MOB Senior


Project: ESTANCIAS DE PERSONAL DOCENTE Y/O INVESTIGADOR SENIOR EN CENTROS EXTRANJEROS 2022
Researcher: Dr. Lluís Blancafort
Reference: PRX22/00196
Funding: 10.265 €
Period: 01/03/2024 – 31/05/2024


AGAUR Projects

ERC


Doctorats Industrials


Project: Formulació de resines pel sector químic, utilizades en la reparació de vehicles comercials i/o industrials i/o pel sector de l’anclatge químic
Researcher: Dr. Anna Pla-Quintana and Dr. Joaquim Tarres
Reference: 2022 DI 095
Funding: 33.960 €
Period: 20/02/2023 – 19/02/2026


Suport a grups de recerca


Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DIMOCAT)
Researcher: Anna Roglans
Reference: 2021 SGR 00623
Funding: 60.000 €
Period: 01/01/2022 – 31/12/2024
Project: Theoretical Chemistry of Biosystems (TCBioSys)
Researcher: Sílvia Osuna
Reference: 2021 SGR 00487
Funding: 60.000 €
Period: 01/01/2022 – 31/12/2024


Project: Química Bioinspirada, Supramolecular i Catàlisi (QBIS-CAT)
Researcher: Anna Company
Reference: 2021 SGR 00475
Funding: 60.000 €
Period: 01/01/2022 – 31/12/2024


AGAUR Projects. Beatriu de Pinós


Project: Beatriu de Pinós
Researcher: Dr. Ouissam El-Bakouri (Ll. Blancafort)
Reference: 2020 BP 00155
Funding: 144.300 €
Period: 01/12/2021 – 30/11/2024
Project: Beatriu de Pinós
Researcher: Dr. Hugo Valdés (X. Ribas)
Reference: 2019 BP 0080
Funding: 144.300 €
Period: 01/03/2021 – 28/02/2024


Project: Beatriu de Pinós
Researcher: Dr. Carles Fuertes (X. Ribas)
Reference: 2022 BP 00078
Funding: 152.348 €
Period: 01/01/2024 – 31/12/2026


RES Projects


Project ID: UMA-2023-3
Title: Exloring the versatility of squalene-hopene cyclase
Assigned Hours: 5.800.000
IP’s: Sílvia Osuna
Period: 01/11/2023 – 28/02/2024


Fundación Ramón Areces


Project: Manipulación regioselectiva de esferas de carbono para revolucionar la eficiencia de las celdas solares (RegioSolar)
Researcher: Dr Xavi Ribas
Reference: XX Concurso Nacional para la Adjudicación de Ayudas a la Investigación en Ciencias de la Vida y de la Materia
Funding: 112.000 €
Period: 12/05/2021 – 11/05/2024


UdG Projects

Collaboration agreement

Company: PROTEUS – SEQENS
Researcher: Sílvia Osuna
Funding: 77.464 € €
Period: 2023 – 2024
Company: Donostia International Physics Center (DIPC)
Researcher: P. Salvador and Josep M. Luis
Funding: 118.500 €
Period: 2022-2026


Company: Fundació Institut Jaume Vicens Vives de Girona
Researcher: Ferran Feixas
Funding: 38.400 €
Period: 2023 – 2027
Company: Laboratorios LETI
Researcher: Xavi Ribas
Funding: – €
Period: 2013-2023


Company: Software for Chemistry & Materials (SCM)
Researcher: Marcel Swart
Funding: Full site-license ( ca. 11.000 €/year)
Period: 2006-2038
Company: Gaussian Inc.
Researcher: Pedro Salvador
Funding: Full site-license
Period: –


Company: REPSOL
Researcher: Marc Garcia-Borràs
Funding: 22.971 €
Period: 2023 – 2024


HFSP

HFSP


Project: Evolution of conformational and kinetic ensembles during functional transitions
Researcher: Dr. Sílvia Osuna (IQCC-UdG, SP), Dr. Tokuriki (coordinator, Univ British Columbia, CAN), Dr. Fraser (Univ. of California San Francisco, US), Dr. Noji (Tokyo Univ, JP)
Reference: Human Frontier Science Program RGP0054/2020
Funding: Total: 1,350,000$. Funding Osuna Team: 337,500$
Period: 01.09.2020 – 31.08.2024



Previous funding

ERC Projects. ERC Starting Grants

Project: Bio-inspired Design of Catalysts for Selective Oxidations of C-H and C=C Bonds (BIDECASEOX)
Researcher: Dr. Miquel Costas
Reference: ERC-2009-StG-239910
Funding: 1.300.000 €
Period: 01/11/2009 – 31/10/2014
Project: Sustainable C-X and C-H Functionalization Catalyzed by Copper(III) Species (SusCatCuIII)
Researcher: Dr. Xavi Ribas
Reference: ERC-2011-StG-277801
Funding: 1.500.000€ excel 1.490.000 €
Period: 01/12/2011 – 31/11/2016


Project: Network models for the computational design of proficient enzymes (NETMODEZYME)
Researcher: Dr Sílvia Osuna
Reference: ERC-2015-StG-679001
Funding: 1.445.587 €
Period: 01/05/2016 – 31/12/2022


ERC Projects. ERC Proof of concept

Project: Bioinspired Catalysts for Commercial Applications (BIOXCAT)
Researcher: Dr. Miquel Costas
Reference: ERC-2013-PoC-620241
Funding: 150.000 €
Period: 01/05/2014 – 30/04/2015
Project: Biologically inspired chiral oxidation catalysts for commercial applications of fine chemistry” (CHIROXCAT)
Researcher: Dr. Miquel Costas
Reference: ERC-2015-PoC-713423
Funding: 150.000€
Period: 01/05/2016 – 31/10/2017


Project: Copper Catalysis Applications (CatalApp)
Researcher: Dr. Xavi Ribas
Reference: ERC-2015-PoC-709590
Funding: 150.000 €
Period: 01/08/2016 – 31/01/2018


Marie Skłodowska-Curie Innovative Training Networks (ITN-ETN)


Project: Non-Noble Metal Catalysis (NoNoMeCat)
Researcher: Dr. Miquel Costas
Reference: H2020-MSCA-ITN-2015-675020
Funding: 495.745 € (3.318.634 €)
Period: 01/01/2016 – 31/12/2019


Marie Skłodowska-Curie Actions. Marie Curie Career Integration Grant (CIG)

Project: Development of new non-empirical DFT funcionals
Researcher: Dr. Eduard Matito
Reference: FP7-PEOPLE-2011-CIG-294240
Funding: 100.000 €
Period: 01/12/2011 – 14/03/2015
Project: Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes
Researcher: Dr. Albert Poater
Reference: FP7-PEOPLE-2011-CIG-293900
Funding: 100.000€
Period: 27/04/2012 – 31/07/2015


Project: Key insights into oxidation chemistry through synthetic systems: N2O activation with first-row transition metals and O2activation in heterobimetallic Fe-Ni systems (NewOxMet)
Researcher: Dr. Anna Company
Reference: FP7-PEOPLE-2011-CIG-303522
Funding: 100.000 €
Period: 01/01/2013 – 31/12/2016
Project: Computational Exploration of Directed Evolution rules for turning enzymatic activities (DIREVENZYME)
Researcher: Dr. Sílvia Osuna
Reference: PCIG14-GA-2013-630978
Funding: 100.000€
Period: 01/03/2014 – 28/02/2018


Marie Skłodowska-Curie Actions. Marie Sklodowska-Curie Individual Fellowships (IF)

Project: Accelerating metal-directed assembly, recognition and catalysis with computational methods (mETaCCEMBLY)
Researcher: Dr. Ferran Feixas (M. Swart)
Reference: H2020-MSCA-IF-2014-661160
Funding: 158.121 €
Period: 01/05/2015 – 30/04/2017
Project: Computational evolution of enzyme variants through conformational networks (EnzVolNet)
Researcher: Dr. Javier Iglesias (S. Osuna)
Reference: H2020-MSCA-IF-2016-753045
Funding: 158.121€
Period: 01/05/2017 – 30/04/2019


Project: Catalytic Csp3-H functionalization via carbene insertion meets sustainability: Developing an unprecedented Iron methodology
Researcher: Dr. Alberto Hernan-Gomez (M. Costas)
Reference: H2020-MSCA-IF-2017-794160
Funding: 170.121 €
Period: 01/01/2018 – 31/12/2019
Project: MulArEffect
Researcher: D. Szczepanik (M. Solà)
Reference: H2020-MSCA-IF-2017-797335
Funding: 158.122 €
Period: 01/10/2018 – 30/09/2020


Project: Mel.Photo.Protect
Researcher: Dr. Jun Wang (L. Blancafort)
Reference: H2020-MSCA-IF-2018-844230
Funding: 158.122 €
Period: 01/09/2019 – 31/08/2021


Marie Skłodowska-Curie

Project: ConfiMet
Researcher: Dr. Nikita Chaudhary (A. Lledó)
Reference: H2020-MSCA-IF-2020-101027049
Funding: 160.932,48 €
Period: 01/01/2023 – 31/12/2024


Marie Skłodowska-Curie Actions. Others

Grant: Marie Curie International Outgoing Fellowships for Career Development
Project: MEDENZYMEDESIGN
Researcher: Dr. Sílvia Osuna
Reference: FP7-PEOPLE-2009-IOF-252856
Funding: 223.538 €
Period: 01/10/2010 – 30/09/2013
Grant: Marie Curie International Staff Exchange Scheme
Project: CANIOC – Chemical bonding and aromaticity in novel inorganic and organometallic clusters
Researcher: Dr. Miquel Solà
Reference: FP7-PEOPLE-2009-IRSES-247671
Funding: 66.600€
Period: 01/01/2011 – 31/12/2014


Grant: KMarie Curie Reintegration Grants
Project: WATERSPLIT – Modular Ligands for water Splitting
Researcher: Dr. Julio Lloret
Reference: FP7-PEOPLE-2010-RG-268445
Funding: 45.000 €
Period: 01/09/2011 – 31/08/2014
Grant: Marie Curie International Outgoing Fellowships for Career Development
Project: Heme/copper and heme/non-heme diiron model Systems for O2 reduction
Researcher: Dr. Isaac Garcia-Bosch
Reference: FP7-PEOPLE-2011-IOF-298414
Funding: 256.206 €
Period: 01/04/2012 – 31/03/2015


Grant: Marie Curie Research’s Night
Project: ALLNIGHTS
Researcher: Dr. Sílvia Simon
Reference: FP7-PEOPLE-2013-NIGHT-609784
Funding: 70.000 €
Period: 01/05/2013 – 30/11/2013
Grant: Marie Curie Research’s Night
Project: OurFuture
Researcher: Dr. Sílvia Simon
Reference: H2020-MSCA-NIGHT-2014-633243
Funding: 180.000 €
Period: 01/04/2014 – 31/10/2015


Grant: MSCA-NIGHT-2020 – European Researchers’ Night
Project: 954506 – EuNightCat
Researcher: Dr. Sílvia Simon
Reference: H2020-MSCA-NIGHT-2020-954506 – EuNightCat20
Funding: 85.000 €
Period: 01.06.2020-31.05.2021
Grant: Path to Successful Innovations (ISPAS)
Project: Path to Successful Innovations (ISPAS)
Researcher: Dr Miquel Solà
Reference: H2020-SWAFS-2020-1-101006544
Funding: 209.036 €
Period: 2019-2021


COST. COST Actions

Project: Participant (CMST)
Researcher: Dr. Miquel Costas
Reference: CM1003
Funding: — €
Period: 2011 – 2015
Project: Participant (XLIC)
Researcher: Dr. Lluís Blancafort
Reference: CM 1204
Funding: — €
Period: 2013 – 2017


Project: Participant (CARISMA)
Researcher: Dr. Julio Lloret
Reference: CM1205
Funding: — €
Period: 2014 – 2017
Project: Chair (ECOSTBio)
Researcher: Dr. Marcel Swart
Reference: CM1305
Funding: 568.000 €
Period: 2014 – 2018


Project: C-H Activation in Organic Synthesis (CHAOS)
Researcher: Dr. Xavi Ribas
Reference: CA 15106
Funding: Participant
Period: 2016 – 2020


ICREA. ICREA Acadèmia Awards

Project: Programa ICREA Acadèmia 2008
Researcher: Dr. Miquel Costas
Reference: ICREA Acadèmia 2008
Funding: 250.000 €
Period: 01/01/2009 – 31/12/2013
Project: Programa ICREA Acadèmia 2009
Researcher: Dr. Miquel Solà
Reference: ICREA Acadèmia 2009
Funding: 250.000 €
Period: 01/01/2010 – 31/12/2014


Project: Programa ICREA Acadèmia 2010
Researcher: Dr. Xavi Ribas
Reference: ICREA Acadèmia 2010
Funding: 250.000 €
Period: 01/01/2011 – 31/12/2015
Programa: ICREA Acadèmia 2013
Researcher: Dr. Miquel Costas
Reference: ICREA Acadèmia 2013
Funding: 205.000 €
Period: 01/01/2014 – 31/12/2018


Project: Programa ICREA Acadèmia 2014
Researcher: Dr. Miquel Solà
Reference: ICREA Acadèmia 2014
Funding: 205.000 €
Period: 01/01/2015 – 31/12/2019
Project: Programa ICREA Acadèmia 2015
Researcher: Dr. Xavi Ribas
Reference: ICREA Acadèmia 2015
Funding: 205.000 €
Period: 01/01/2016 – 31/12/2020


Project: Programa ICREA Acadèmia 2018
Researcher: Dr. Miquel Costas
Reference: ICREA Acadèmia 2018
Funding: 205.000 €
Period: 01/01/2019 – 31/12/2023


MICIU. Proyectos I+D

Project: Evolución Computacional de Enzimas mediante la Exploración de la Superficie Conformacional
Researcher: Dr. Sílvia Osuna
Reference: PGC2018-102192-B-100
Funding: 118.580 €
Period: 01/01/2019 – 31/12/2022
Project: Caracterización multiescalar de intermedios reactivos para el descubrimiento y diseño de nuevas actividades biocatalíticas
Researcher: Dr. Marc Garcia-Borràs
Reference: PID2019-111300GA-I00
Funding: 72.600 €
Period: 01/06/2020 – 31/05/2023


Project: Simulating Phase Effects on Excited States
Researcher: Dr. Lluís Blancafort
Reference: PID2019-104654GB-I00
Funding: 90.750 €
Period: 01/06/2020 – 31/05/2023
Project: Nanocapsulas como plataformas supramoleculares para la funcionalización regioselectiva de fullerenos y catálisis en el espacio confinado
Researcher: Dr. Xavi Ribas
Reference: PID2019-104498GB-I00
Funding: 193.600 €
Period: 01/06/2020 – 31/05/2023


MICIU. Retos

Project: Estudio del papel de las variantes genéticas en regiones no exónicas en el Síndrome de Brugada
Researcher: Dr Sara Pagans & Dr Miquel Duran
Reference: SAF2015-70823-R
Funding: 108.900 €
Period: 01/01/2016 – 31/12/2019
Project: Aceleración de los procesos (bio)moleculares de reconocimiento y ensamblaje molecular con métodos computacionales
Researcher: Dr. Ferran Feixas
Reference: RTI2018-101032-J-I00
Funding: 153.791 €
Period: 01/10/2019 – 20/09/2022

MICIU. Proyectos Redes de Excelencia


Project: Materiales orgánicos optoelectrónicos para la energía (ORGENERGY)
Researcher: Dr. Miquel Solà
Reference: CTQ2016-81911-REDT
Funding: 18.000 €
Period: 2017 – 2019


MICIU. REQ


Project: Margarita Salas
Researcher: Dr. Carles Fuertes
Reference: REQ2021_A_11
Funding: 79.100 €
Period: 04/04/2022 – 03/04/2024


MICIU. MOB Senior


Project: ESTANCIAS DE PERSONAL DOCENTE Y/O INVESTIGADOR SENIOR EN CENTROS EXTRANJEROS 2022
Researcher: Dr. Miquel Solà
Reference: PRX22/00057
Funding: 10.247 €
Period: 01/11/2023 – 31/01/2024


Acciones de Dinamización “Europa Investigación 2019”


Project: Functionalizing densities
Researcher: Dr. Marcel Swart
Reference: EIN2019-103469
Funding: 10.000 €
Period: 01/06/2019 – 31/05/2021
Project: Manipulacion regioselectiva de fullerenos para acceder a una extensa aplicabilidad
Researcher: Dr. Xavi Ribas
Reference: EIN2020-112167
Funding: 10.000 €
Period: 1/11/2020 – 31/10/2022


MICIU. Adquisición de equipamiento científico-técnico 2018


Project: Adquisición de un espectrómetro de masas MALDI-TOF
Researcher: Xavi Ribas
Reference: EQC2018-004422-P
Funding: 250.000 €
Period: 2018 – 2019


MINECO Projects. Proyectos I+D

Project: Nuevos enfoques para el estudio computacional de biomoléculas, interacciones de espín en agregados metálicos y sistemas moleculares de almacenamiento de hidrógeno
Researcher: Dr. Miquel Duran
Reference: CTQ2011-23441
Funding: 52.000 €
Period: 01/01/2012 – 31/12/2014
Project: Avances en Catálisis y Aromaticidad
Researcher: Dr. Miquel Solà
Reference: CTQ2011-23156
Funding: 70.000 €
Period: 01/01/2012 – 31/12/2014


Project: Modelización químico cuántica de fotoquímica y transferencia electrónica:sistemas grandes, efectos colectivos y control óptico
Researcher: Dr. Lluís Blancafort
Reference: CTQ2011-26573
Funding: 52.000 €
Period: 01/01/2012 – 31/12/2014
Project: Modelización multiescalar en(Bio)Química
Researcher: Dr. Marcel Swart
Reference: CTQ2011-25086
Funding: 67.000 €
Period: 01/12/2012 – 31/12/2014


Project: Aplicaciones catalíticas de compuestos de rodio,paladio y níquel en síntesis orgánica. Metodologia y estudios mecanísticos.
Researcher: Dr. Anna Roglans
Reference: CTQ2011-23121
Funding: 83.490 €
Period: 01/01/2012 – 31/12/2014
Project: Diseño bioinspirado de catalizadores para la oxidación de enlaces C-H, C=C y agua (HybCorr)
Researcher: Dr. Miquel Costas
Reference: CTQ2012-37420-C02-01
Funding: 189.540 €
Period: 01/12/2013 – 31/12/2015


Project: Investigaciones mecanísticas para síntesis orgánica sostenible via activación de pequeñas moléculas gaseosas y de enlaces C-H con metales de la primera serie de transición
Researcher: Dr. Xavi Ribas and Dr. Anna Company
Reference: CTQ2013-43012-P
Funding: 163.350 €
Period: 01/01/2014 – 31/12/2016
Project: Spin state and enzymatic catalysis based on bottom-up computational design (SpinEnzymeCat)
Researcher: Dr. Sílvia Osuna and Dr. Marcel Swart
Reference: CTQ2014-59212-P
Funding: 116.160 €
Period: 01/01/2015 – 31/12/2017


Project: Estudios teórico-experimentales de ciclaciones catalizadas por metales de transición. Nuevos desarrollos en aromaticidad, funcionales de la densidad y química supramolecular (CICATMET)
Researcher: Dr. Miquel Solà and Dr. Anna Roglans
Reference: CTQ2014-54306-P
Funding: 196.020 €
Period: 01/01/2015 – 31/12/2017
Project: Funcionales DFT para el cálculo de propiedades opticas no lineales
Researcher: Dr. Josep Maria Luis (Dr. Eduard Matito)
Reference: CTQ2014-52525-P
Funding: 60.000 €
Period: 01/01/2015 – 31/12/2017


Project: Computación del estado excitado: De espectros moleculares a sistemas multicromofóricos (MSPEC-MCHROM)
Researcher: Dr Lluís Blancafort
Reference: CTQ2015-69363-P
Funding: 58.080 €
Period: 01/01/2016 – 30/06/2019
Project: Generación y caracterización de especies de hierro y manganeso en altos estados de oxidación, y su uso en catalisis asimétrica (HIGHVALCAT)
Researcher: Dr Miquel Costas
Reference: CTQ2015-70795-P
Funding: 190.817 €
Period: 01/01/2016 – 31/03/2019


Project: Model platforms for the mechanistic understanding of C-H and C-X functionalizations (MODMECH)
Researcher: Dr Xavi Ribas & Dr Anna Company
Reference: CTQ2016-77989-P
Funding: 135.000 €
Period: 30/12/2016 – 29/12/2019
Project: Characterization and prediction of short-lived transition-metal species
Researcher: Dr Marcel Swart
Reference: CTQ2017-87392-P
Funding: 89.540 €
Period: 01/01/2018 – 31/08/2021


Project: Avances en la Reactividad de Fullerenos y Nanotubos: Estudios Teorico-Experimentales de Ciclaciones Catalizadas por Metales de Transición
Researcher: Miquel Solà & Anna Pla
Reference: CTQ2017-85341-P
Funding: 199.650 €
Period: 01/01/2018 – 31/08/2021
Project: BiCycle Program
Researcher: Dr Agustí Lledó
Reference: CTQ2017-83587-P
Funding: 64.130 €
Period: 01/01/2018 – 31/08/2021


Project: Catálisis de oxidación bioinspirada mediante diseño racional de cataliadores
Researcher: Dr Miquel Costas
Reference: PGC2018-101737-B-100
Funding: 242.000 €
Period:01/01/2019 – 31/12/2021
Project: Redescubrimiento in silico de mecanismos asistidos duales de la catálisis monometálica: hacia el trabajo en condiciones suaves
Researcher: Dr. Albert Poater
Reference: PGC2018-097722-B-100
Funding: 76.230 €
Period: 01/01/2019 – 30/09/2022


Project: Descomposición en el espacio real de propiedades ópticas no lineales para el diseño racional de materiales optoelectrónicos
Researcher: Dr. Josep María Luis and Dr. Pedro Salvador
Reference: PGC2018-098212-B-C22
Funding: 64.130 €
Period: 01/01/2019 – 30/09/2022


MINECO Projects. Proyectos Consolider

Project: Aplicación de la Química Supramolecular al Diseño, Síntesis y Estudio de Compuestos Bioactivos de Acción Antiinflamatoria, Antitumoral o Antiparasitaria (SUPRAMED)
Researcher: Dr. Miquel Costas
Reference: CONSOLIDER-INGENIO CSD-2010-00065
Funding: 500.000 €
Period: 07/03/2011 – 14/06/2015


MINECO Projects. Proyectos Europa Excelencia

Project: Una nueva estrategia en DFT: Funcionales híbridos adaptados a la correlación electrónica
Researcher: Dr. Eduard Matito
Reference: CTQ2013-41236-ERC
Funding: 75.000 €
Period: 01/12/2013 – 30/11/2014
Project: Spin state catalysis trought density-consistent molecular modelling (SpinStateCat-EurExc)
Researcher: Dr. Marcel Swart
Reference: CTQ2015-70851-ERC
Funding: 60.000 €
Period: 01/11/2015 – 31/10/2016


MINECO Projects. Proyectos Explora Ciencia

Project: Generación y estabilización de especies químicas altamente reactivas en nanocápsulas supramoleculares autoensambladas
Researcher: Dr. Miquel Costas
Reference: CTQ2013-50306-EXP
Funding: 66.550 €
Period: 01/09/2014 – 31/08/2016
Project: Síntesis específica de nanotubos de carbono mediante fotocatálisis con luz visible (CaNaDARC)
Researcher: Dr. Agustí Lledó
Reference: CTQ2014-61629-EXP
Funding: 45.000 €
Period: 01/09/2015 – 31/08/2017


MINECO Projects. Proyectos Proyectos de I+D+i para jóvenes investigadores sin vinculación o con vinculación temporal

Project: Escaneo Computacional de Relaciones Estructura/Actividad de Catalizadores de Oxidación del Agua para la Generación de H2
Researcher: Dr. Albert Poater and Dr. Miquel Solà
Reference: CTQ2014-59832-JIN
Funding: 143.000 €
Period: 01/10/2015 – 30/09/2018


MINECO Projects. Ramon y Cajal

Project: Programa Ramón y Cajal
Researcher: Dr. Julio Lloret
Reference: RYC-2009-05409
Funding: 192.480 €
Period: 01/04/2010 – 31/03/2015
Project: Programa Ramón y Cajal
Researcher: Dr. Albert Poater
Reference: RYC-2009-05226
Funding: 192.480 €
Period: 27/04/2012 – 27/04/2015


Project: Programa Ramón y Cajal
Researcher: Dr. Anna Company
Reference: RYC-2011-08683
Funding: 183.600 €
Period: 01/01/2012 – 31/12/2016
Project: Programa Ramón y Cajal
Researcher: Dr. Agustí Lledó
Reference: RYC-2012-11112
Funding: 208.600 €
Period: 01/02/2014 – 10/03/2019


Project: Programa Ramón y Cajal
Researcher: Dr. Sílvia Osuna
Reference: RYC-2014-16846
Funding: 308.600 €
Period: 01/01/2016 – 31/12/2017
Project: Programa Ramón y Cajal
Researcher: Dr. Sílvia Osuna
Reference: RYC-2014-16846
Funding: 308.600 €
Period: 2016 – 2020


MINECO Projects. Juan de la Cierva

Project: Juan de la Cierva
Researcher: Dr. Mikael P. Johansson
Reference: JCI-2009-05953
Funding: 100.980 €
Period: 14/04/2010 – 15/04/2013
Project: Juan de la Cierva
Researcher: Dr. Quansong Li
Reference: JCI-2011
Funding: — €
Period: 01/12/2013 – 30/11/2016


Project: Juna de la Cierva Incorporación
Researcher: Dr. Sílvia Osuna
Reference: JCI-2012-14438
Funding: 86.400 €
Period: 01/12/2013 – 30/12/2016
Project: Ayudas para la Formación Posdoctoral del Ministerio de Economía y Competitividad
Researcher: Dr. Vlad Martin-Dionescu
Reference: FPDI-2013-17531
Funding: 50.000 €
Period: 01/02/2015 – 31/01/2017


Project: Ayudas para la Formación Posdoctoral del Ministerio de Economía y Competitividad
Researcher: Dr. Ilaria Gamba
Reference: FPDI-2013-17068
Funding: 50.000 €
Period: 01/08/2015 – 31/07/2017
Project: Juan de la Cierva – Formación
Researcher: Dr. Giorgio Olivo
Reference: FJCI-2016-30243
Funding: 50.000 €
Period: 01/12/2017 – 30/11/2019


Project: Juan de la Cierva – Incorporación
Researcher: Dr. Marc Garcia-Borràs
Reference: IJCI-2017-33411
Funding: 64.000 €
Period: 01/02/2019 – 31/01/2020
Project: Juan de la Cierva – Formación
Researcher: Dr. Anton Stasyuk
Reference: FJCI-2016-29448
Funding: 50.000 €
Period: 01/05/2018 – 30/04/2020


Project: Juan de la Cierva – Incorporación
Researcher: Dr. Javier Iglesias
Reference: IJCI-2017-34129
Funding: 64.000 €
Period: 01/05/2019 – 30/04/2021
Project: Juan de la Cierva – Formación
Researcher: Dr. Olga Stasyuk
Reference: FJCI-2017-32757
Funding: 50.000 €
Period: 01/01/2019 – 30/12/2020


Project: Juan de la Cierva – Formación
Researcher: Dr. Sergio Posada
Reference: FJC2019-039623-I
Funding: 50.000 €
Period: 01/07/2021 – 30/06/2022
Project: Juan de la Cierva – Incorporación
Researcher: Dr. Anton Stasyuk
Reference: IJC2019-039846-I
Funding: 93.000 €
Period: 01/01/2021 – 31/12/2023


MINECO Projects. Personal Técnico de Apoyo

Project: Personal Técnico de Apoyo
Researcher: Dr. Laura Gómez
Reference: PTAT 2010-04205-I
Funding: 56.700 €
Period: 27/01/2011 – 26/01/2015
Project: Personal Técnico de Apoyo
Researcher: Joaquim Antolin
Reference: PTA 2012-6886-A
Funding: 48.000 €
Period: 01/10/2013 – 30/09/2016


Project: Personal Técnico de Apoyo
Researcher: Dani Masó
Reference: PTA2013-8774-I
Funding: 36.000 €
Period: 15/11/2014 – 14/11/2017


AGAUR Projects. Suport a les activitats dels grups de recerca

Project: Química teòrica i modelatge i enginyeria molecular (QTMEM)
Researcher: Dr. Lluís Blancafort
Reference: 2009 SGR 000528
Funding: 49.920 €
Period: 29/07/2009 – 30/04/2014
Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DiMoCat)
Researcher: Dr. Miquel Solà
Reference: 2009 SGR 000637
Funding: 43.680 €
Period: 29/07/2009 – 30/04/2014


Project: Química teòrica i modelatge i enginyeria molecular (QTMEM)
Researcher: Dr. Lluís Blancafort
Reference: 2014SGR1202
Funding: 48.000 €
Period: 01/01/2014 – 30/04/2017
Project: Química Bioinspirada, Supramolecular i Catàlisi (QBIS-CAT)
Researcher: Dr. Miquel Costas
Reference: 2014 SGR 862
Funding: 38.400 €
Period: 01/01/2014 – 30/04/2017


Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DiMoCat)
Researcher: Dr. Miquel Solà
Reference: 2014SGR 931
Funding: 38.400 €
Period: 01/01/2014 – 30/04/2017
Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DIMOCAT)
Researcher: Dr. Miquel Solà
Reference: 2017 SGR 39
Funding: 44.480 €
Period: 01/01/2017 – 30/09/2021


Project: Laboratori de Bioquímica Computacional: Disseny Racional de Nous Enzims (CompBioLab)
Researcher: Sílvia Osuna
Reference: 2017 SGR 1707
Funding: 10.000 €
Period: 01/01/2017 – 30/09/2021
Project: Química Bioinspirada, Supramolecular i Catàlisi (QBIS-CAT)
Researcher: Xavi Ribas
Reference: 2017 SGR 264
Funding: 65.896 €
Period: 01/01/2017 – 30/09/2021


Project: Química teòrica i Modelatge i Enginyeria molecular (QTEMEM)
Researcher: Lluís Blancafort
Reference: 2017 SGR 1434
Period: 01/01/2017 – 30/09/2021


AGAUR Projects. Beatriu de Pinós

Project: Beatriu de Pinós
Researcher: Dr. Eduard Matito (M. Solà)
Reference: 2010 BP-B_00209
Funding: 74.528 €
Period: 01/12/2011 – 30/11/2013
Project: Beatriu de Pinós
Researcher: Dr. Josep Llaveria (M. Costas)
Reference: 2013BP_B 00188
Funding: 91.022 €
Period: 01/10/2014 – 30/09/2016


Project: Beatriu de Pinós
Researcher: Dr. Alexandra Teresa Pires Carvalho (M. Swart)
Reference: 2010 BP-B 00238
Funding: 74.528 €
Period: 30/04/2012 – 28/02/2013
Project: Beatriu de Pinós
Researcher: Dr. Ferran Feixas (M. Swart)
Reference: 2010 BP_A2 00022
Funding: 39.232 €
Period: 01/05/2014 – 01/05/2015


Project: Beatriu de Pinós
Researcher: Dr. Alberto Hernán-Gómez (M. Costas)
Reference: 2016 BP
Funding: 92.000 €
Period: 01/09/2017 – 31/12/2018
Project: Beatriu de Pinós
Researcher: Dr. Marc Garcia-Borràs (S. Osuna)
Reference: 2018 BP 00204
Funding: 144.300 €
Period: 01/02/2020 – 31/01/2022


RES Projects


Project ID: BSC-2022-3
Title: Ultra-dense hydrogen and noble gases in small pore hydridic framework
Assigned Hours: 576.000
IP’s: Sergio Posada-Pérez
Period: 01/11/2022 – 28/02/2023
Project ID: UMA-2022-3
Title: Computational exploration and design of squalene-hopene cyclases for efficient cationic cyclizations
Assigned Hours: 2.500.000
IP’s: Sílvia Osuna
Period: 01/11/2022 – 28/02/2023


Project ID: BSC-2022-3
Title: Data driven investigation on fullereneperovskite systems for solar cell applications
Assigned Hours: 864.000
IP’s: Miquel Solà
Period: 01/11/2022 – 28/02/2023
Project ID: BSC-2022-3
Title: Screening electrode materials for Li-ion aqueous batteries: The oxygen evolution reaction
Assigned Hours: 502.000
IP’s: Sergio Posada-Pérez
Period: 01/11/2022 – 28/02/2023


Project ID: BSC-2022-3
Title: Single atom metals embedded on twodimensional g-C3N4 for Hydrogen evolution reaction: Surface or Monolayer?
Assigned Hours: 691.000
IP’s: Albert Poater
Period: 01/11/2022 – 28/02/2023
Project ID: UV-2022-3
Title: Selectivity of harmful gases by azole based ionic liquids
Assigned Hours: 1.382.000
IP’s: Albert Poater
Period: 01/11/2022 – 28/02/2023


Project ID: UC-2022-2
Title: Greenhouse conversion on single atom metals embedded on two-dimensional gC3N4
Assigned Hours: 691.000
IP’s: Albert Poater
Period: 01/07/2022 – 31/10/2022
Project ID: CESGA-2022-2
Title: Homogenizing 2D-heterogeneous catalyst: towards more active and selective catalysts for greenhouse gases conversion
Assigned Hours: 806.000
IP’s: Miquel Solà
Period: 01/07/2022 – 31/10/2022


Project ID: CSUC-2022-1
Title: High-valent organometallic iron
Assigned Hours: 217.000
IP’s: Marcel Swart
Period: 01/03/2022 – 30/06/2022
Project ID: CSUC-2022-1
Title: Oxygen evolution reaction on bismuth vanadate from an exciton perspective
Assigned Hours: 100.000
IP’s: Lluís Blancafort
Period: 01/03/2022 – 30/06/2022


Project ID: BSC/MN-2022-1
Title: Elucidating fullerene-perovskite interactions by means of first-principles calculations: Towards a rational desing of low cost solar cells
Assigned Hours: 2.304.000
IP’s: Miquel Solà
Period: 01/03/2022 – 30/06/2022
Project ID: BSC/MN-2022-2
Title: Superoxide dismutase activity in watersoluble porphyrins
Assigned Hours: 130.000
IP’s: Marcel Swart
Period: 01/07/2022 – 31/10/2022


Project ID: BSC/MN-2022-1
Title: Homogenizing 2D-heterogeneous catalyst: towards more active and selective catalysts for greenhouse gases conversion
Assigned Hours: 548.000
IP’s: Miquel Solà
Period: 01/03/2022 – 30/06/2022
Project ID: BSC/MN-2022-1
Title: Photoinduced electron transfer in host-guest complexes of tubularenes with electrondeficient aromatics
Assigned Hours: 320.000
IP’s: Miquel Solà
Period: 01/03/2022 – 30/06/2022


Project ID: QSB-2020-1
Title: Synthetic molecular receptors with bioinspired functions: development of rational design tools
Assigned Hours: 50.000
IP’s: Agustí Lledó
Period: 01/03/2020 – 30/06/2020
Project ID: QSB-2020-1
Title: High-valent reactivity of iron complexes
Assigned Hours: 322.560
IP’s: Marcel Swart
Period: 01/03/2020 – 30/06/2020


Project ID: QSB-2020-1
Title: Competition between superoxo and peroxo species
Assigned Hours: 216.000
IP’s: Marcel Swart
Period: 01/03/2020 – 30/06/2020
Project ID: QSB-2020-1
Title: Unraveling melanin photoprotection – optical absorption spectra of a library of melanin components
Assigned Hours: 300.000
IP’s: Lluís Blancafort
Period: 01/03/2020 – 30/06/2020


Project ID: QSB-2019-3-0009
Title: Computational characterization of reactive intermediates for the discovery and design of new biocatalytic activities: unnatural oxidation catalytic pathways in P450s
Assigned Hours: 65.660
IP’s: Marc Garcia-Borras
Project ID: QSB-2019-3-0005
Title: Reactivity of copper complexes
Assigned Hours: 65.660
IP’s: Marcel Swart


Project ID: QSB-2019-2-0003
Title: Modelling monooxygenase enzymes: reactivity of peroxodiiron species
Assigned Hours (in thousands): 253,44
IP’s: Marcel Swart
Project ID: QSB-2019-2-0006
Title: Reactivity of high-valent nickel complexes
Assigned Hours (in thousands): 269.57
IP’s: Marcel Swart


Project ID: QCM-2019-2-0016
Title: Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition to Single-Walled Carbon Nanotubes. Searching for New Efficient Organic Photovoltaic Materials.
Assigned Hours (in thousands): 552.96
IP’s: Miquel Solà
Project ID: QSB-2019-1
Title: Enzyme-like catalysis with synthetic molecular receptors
Assigned Hours (in thousands): 100
IP’s: Agustí Lledó


Project ID: BCV-2019-3-0016
Title: Unraveling the molecular basis of inhibitor selectivity in p38 kinases
Assigned Hours: 115.200
IP’s: Ferran Feixas
Project ID: QSB-2019-3-0006
Title: Unraveling melanin photoprotection – optical absorption spectra of a library of melanin components
Assigned Hours: 300.000
IP’s: Lluis Blancafort


Project ID: QSB-2019-1
Title: Modelling morphochromism in tetrafurylethylene
Assigned Hours (in thousands): 600
IP’s: Lluís Blancafort
Project ID: BSC/MN-MT-2013-1-0010
Title: Catalytic mechanism of the Complex II family enzyme Succinate: quinone oxidoreductase (SQR)
Assigned Hours (in thousands): 33
IP’s: Marcel Swart


Project ID: QCM-2018-3-0036
Title: Enzyme-like catalysis with synthetic molecular receptors
Assigned Hours (in thousands): 192
IP’s: Agustí Lledó
Project ID: QCM-2018-2-0047
Title: Computational spectroscopy of dinuclear nickel complexes
Assigned Hours (in thousands): 331.8
IP’s: Marcel Swart


Project ID: QCM-2018-2-0040
Title: Complete reconstruction of substrate binding in Epoxide Hydrolases
Assigned Hours (in thousands): 25
IP’s: Sílvia Osuna
Project ID: QCM-2018-2-0034
Title: Rationalizing the shape of photocatalytically active gold nanoplatelets on graphene
Assigned Hours (in thousands): 500
IP’s: Lluís Blancafort


Project ID: QCM-2018-1-0047
Title: Complete reconstruction of substrate binding in Epoxide Hydrolases
Assigned Hours (in thousands): 144
IP’s: Sílvia Osuna
Project ID: QCM-2018-1-0037
Title: Water splitting reactivity of phosphorous doped graphene
Assigned Hours (in thousands): 240
IP’s: Lluís Blancafort


Project ID: QCM-2017-3-0045
Title: Simulating ligand binding and unbinding with accelerated molecular dynamics
Assigned Hours (in thousands): 40
IP’s: Ferran Feixas
Project ID: QCM-2017-3-0038
Title: Water splitting reactivity of phosphorous doped graphene
Assigned Hours (in thousands): 200
IP’s: Lluís Blancafort


Project ID: QCM-2017-3-0029
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 50
IP’s: Sílvia Osuna
Project ID: QCM-2017-2-0028
Title: Simulating ligand binding and unbinding with accelerated molecular dynamics
Assigned Hours (in thousands): 57.60
IP’s: Ferran Feixas


Project ID: QCM-2017-2-0022
Title: Optical spectra of DNA oligomers and polymers simulated with real time-dependent density functional theory
Assigned Hours (in thousands): 275
IP’s: Lluís Blancafort
Project ID: QCM-2017-2-0020
Title: Application of the explicit exciton approach to the study of the photocatalytic oxidation of water on TiO2
Assigned Hours (in thousands): 200
IP’s: Lluís Blancafort


Project ID: QCM-2017-2-0019
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 255
IP’s: Sílvia Osuna
Project ID: UAM-2020-2
Title: High-valent reactivity of copper complexes
Assigned Hours: 190.000
IP’s: Marcel Swart
Period: 01/07/2020 – 31/10/2020


Project ID: QCM-2017-1-0019
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2016-3-0027
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna


Project ID: BCV-2016-3-0011
Title: The molecular basis of R513 arginine recognition and methylation in cardiac conduction disease
Assigned Hours (in thousands): 57.60
IP’s: Ferran Feixas
Project ID: BCV-2017-2-0015
Title: Unraveling the dynamics of nitrogenase: aerobic conformational protection and preorganization for electron transfer
Assigned Hours (in thousands): 30
IP’s: Ferran Feixas


Project ID: QCM-2016-2-0009
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2016-1-0015
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna


Project ID: QCM-2015-3-0050
Title: Interaction of taste enhancers with umami taste receptors: study of the molecular mechanism of umami taste synergism
Assigned Hours (in thousands): 64.8
IP’s: Marcel Swart
Project ID: QCM-2015-3-0048
Title: Computational exploration and design of new epoxide hydrolase variants
Assigned Hours (in thousands): 57.6
IP’s: Ken Houk / Sílvia Osuna


Project ID: QCM-2015-3-0030
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2015-3-0016
Title: Spinning Resonance Raman spectroscopy
Assigned Hours (in thousands): 160
IP’s: Marcel Swart


Project ID: QCM-2015-2-0027
Title: Computational exploration and design of new epoxide hydrolase variants
Assigned Hours (in thousands): 58
IP’s: Ken Houk / Sílvia Osuna
Project ID: QCM-2015-2-0026
Title: Interaction of substrate with taste receptors
Assigned Hours (in thousands): 57.6
IP’s: Marcel Swart


Project ID: QCM-2014-3-0013
Title: Interaction of substrate with taste receptors
Assigned Hours (in thousands): 59.04
IP’s: Marcel Swart
Project ID: QCM-2014-2-0001
Title: Molecular chemistry of Alzheimer’s disease
Assigned Hours (in thousands): 311.04
IP’s: Marcel Swart


Project ID: BSC/MT-2013-2-0027
Title: Multi-scale modeling of heme-proteins NMR chemical shifts
Assigned Hours (in thousands): 84
IP’s: Marcel Swart
Project ID: BSC/MN-MT-2013-2-0012
Title: Characterization of supramolecular host-guest cages
Assigned Hours (in thousands): 130
IP’s: Marcel Swart


Project ID: BSC-2020-2
Title: Computational chemistry from static and dynamic approaches to block the protease of COVID
Assigned Hours: 2.000.000
IP’s: Albert Poater
Period: 01/07/2020 – 31/10/2020
Project ID: BSC-2020-2
Title: Unraveling the molecular basis of inhibitor selectivity in p38 kinases
Assigned Hours: 115.200
IP’s: Ferran Feixas
Period: 01/07/2020 – 31/10/2020


Project ID: CSUC-2020-2
Title: Unraveling melanin structure and photoprotection – optical and IR spectra of a library of melanin components
Assigned Hours: 800.000
IP’s: Lluís Blancafort
Period: 01/07/2020 – 31/10/2020
Project ID: BSC-2020-2
Title: Computational characterization of reactive intermediates for the discovery and design of new biocatalytic activities: unnatural oxidation catalytic pathways in P450s
Assigned Hours: 81.380
IP’s: Marc Garcia-Borràs
Period: 01/07/2020 – 31/10/2020


Project ID: BSC/MT-2019-2
Title: Unraveling the dynamics of nitrogenase: aerobic conformational protection and preorganization for electron transfer
Assigned Hours: 57.600
IP’s: Ferran Feixas
Period: —
Project ID: QCM-2018-3
Title: Decoding the conformational heterogeneity of Insulin using Markov State Models
Assigned Hours (in thousands): 144
IP’s: Javier Iglésias-Fernández
Period: —


Project ID: IAC-2020-2
Title: Hole transfer in novel “skinny” and “fat” containing double-stranded DNA stacks
Assigned Hours: 450.000
IP’s: Miquel Solà
Period: 01/07/2020 – 31/10/2020
Project ID: BSC-2020-2
Title: Formation of diamond-core Fe(IV)2(mu-O)2 complexes
Assigned Hours: 353.660
IP’s: Marcel Swart
Period: 01/07/2020 – 31/10/2020


Project ID: BSC-2020-3
Title: Covalent charge transfer complexes of fullertubes. Density functional study of the reactivity of fullertubes in the Bingel reaction
Assigned Hours: 276.000
IP’s: Miquel Solà
Period: 01/11/2020 – 28/02/2021
Project ID: BSC-2020-3
Title: Formation of diamond-core Fe(IV)2(mu-O)2 complexes revisited
Assigned Hours: 478.080
IP’s: Marcel Swart
Period: 01/11/2020 –28/02/2021


Project ID: QSB-2020-3-0003
Title: Understanding transition metal-nitrosyl bonding by high-level electronic structure methods
Assigned Hours: 216.000
IP’s: Pedro Salvador
Period: 01/11/2020 – 28/02/2021
Project ID: BSC-2021-1
Title: Covalent charge transfer complexes of fullertubes. Density functional study of the reactivity of fullertubes in the Bingel reaction
Assigned Hours: 299.000
IP’s: Miquel Solà
Period: 01/03/2021 – 30/06/2021


Project ID: BSC-2021-1
Title: Unraveling the Graded Millisecond Allosteric Activation of Imidazole Glycerol Phosphate
Assigned Hours: 115.200
IP’s: Ferran Feixas
Period: 01/03/2021 – 30/06/2021
Project ID: BSC-2021-1
Title: Formation of diamond-core Fe(IV)2(mu-O)2 complexes revisited
Assigned Hours: 345.500
IP’s: Marcel Swart
Period: 01/03/2021 – 30/06/2021


Project ID: BSC-2012-3
Title: Characterization of supramolecular host-guest cages
Assigned Hours: 90.000
IP’s: Marcel Swart
Period: 01/03/2012 – 30/06/2012
Project ID: BSC-2012-3
Title: Catalytic mechanism of the Complex II family enzyme Succinate:quinone oxidoreductase (SQR)
Assigned Hours: 46.600
IP’s: Marcel Swart
Period: 01/03/2012 – 30/06/2012


Project ID: UV-2012-3
Title: A comparison of the exohedral reactivity of the endohedral metallofullerenes (EMFs) M@C2v(9)-C82 (M = Sc, Y, La, Ce, Gd, Lu, Er, Dy, Tb, Yb, Tm, Eu, Sm and Ti) in carbene addition.
Assigned Hours: 355.000
IP’s: Josep Maria Luis
Period: 01/03/2012 – 30/06/2012
Project ID: MinoTauro-2012-3
Title: Catalytic mechanism of the Complex II family enzyme Succinate:quinone oxidoreductase (SQR)
Assigned Hours: 70.000
IP’s: —
Period: —


Project ID: BSC-2012-2
Title: Catalytic mechanism of the Complex II family enzyme Succinate:quinone oxidoreductase (SQR)
Assigned Hours: 20.000
IP’s: Marcel Swart
Period: 01/03/2012 – 30/06/2012
Project ID: BSC-2012-2
Title: 1,3-dipolar cycloaddition of azomethine ylide to graphene sheets
Assigned Hours: 70.000
IP’s: Josep Maria Luis
Period: 01/03/2012 – 30/06/2012


Project ID: MinoTauro-2012-2
Title: Catalytic mechanism of the Complex II family enzyme Succinate:quinone oxidoreductase (SQR)
Assigned Hours: 34.560
IP’s: Marcel Swart
Period: 01/03/2012 – 30/06/2012
Project ID: UV-2012-1
Title: Study of reactivity and regioselectivity of La@C2v(9)-C82
Assigned Hours: 281.600
IP’s: Marcel Swart
Period: 01/03/2012 – 30/06/2012


Project ID: UZ-2017-3
Title: Density functional study of the Diels-Alder reactivity of endohedral metallocarbon nano-onion (EMCNO) Li+@C60@C240
Assigned Hours (in thousands): 491,52
IP’s: Miquel Solà
Period: —
Project ID: QCM-2017-1
Title: Optical spectra of DNA oligomers and polymers simulated with real time-dependent density functional theory
Assigned Hours (in thousands): 200
IP’s: Lluís Blancafort
Period: —


Project ID: BSC/MN-2015-1
Title: Maximum Aromaticity as the key property to unravel the Relative Stabilities of Endohedral Metallofullerenes
Assigned Hours (in thousands): 536
IP’s: Miquel Solà
Period: —
Project ID: BSC/MN-2014-1
Title: Bingel-Hirsch additions on Endohedral Metallofullerenes. How are they affected by the metallic cluster, the strain energy and the solvent effects?
Assigned Hours (in thousands): 479
IP’s: Miquel Solà
Period: —


Project ID: BSC/MN-2013-3
Title: Bingel-Hirsch additions on Endohedral Metallofullerenes. How are they affected by the metallic cluster, the strain energy and the solvent effects?
Assigned Hours (in thousands): 330
IP’s: Miquel Solà
Period: —
Project ID: BSC/MN-2013-3
Title: Computational exploration of fullerene and endohedral metallofullerenes charge transfer properties for organic photovoltaic devices
Assigned Hours (in thousands): 307
IP’s: Miquel Solà
Period: —


Project ID: BSC/MN-2013-2
Title: Chemical functionalization of carbon-based materials through reaction with benzyne. A comparison between the [2+2] and [4+2] cycloaddition pathways.
Assigned Hours (in thousands): 307
IP’s: Miquel Solà
Period: —
Project ID: BSC/MN-2013-3-2
Title: Regioselectivity of Bingel and Diels-Alder cycloadditions on non-IPR Endohedral Metallofullerenes
Assigned Hours (in thousands): 534
IP’s: Miquel Solà
Period: —


Project ID: BSC-2023-1
Title: Predictive catalysis: From hydroformylation reaction to general applications in catalysis
Assigned Hours: 797.000
IP’s: Sergio Posada-Pérez
Period: 01/03/2022 – 30/06/2023
Project ID: IAC-2023-1
Title: Interfacial properties of fullerene-perovskites using Non-collinear DFT calculations
Assigned Hours: 870.900
IP’s: Sergio Posada-Pérez
Period: 01/03/2022 – 30/06/2023


Project ID: BSC-2023-1
Title: Data driven investigation on fullereneperovskite systems for solar cell applications
Assigned Hours: 1.088.000
IP’s: Miquel Solà
Period: 01/03/2022 – 30/06/2023
Project ID: BSC-2023-1
Title: Creating functional nanoscale devices based on 2D materials
Assigned Hours: 465.000
IP’s: Miquel Solà
Period: 01/03/2022 – 30/06/2023


Project ID: UMA-2023-1
Title: A new twist to an old story: reactivity of the first characterized high-valent metal-oxo species
Assigned Hours: 864.000
IP’s: Marcel Swart
Period: 01/03/2022 – 30/06/2023
Project ID: UMA-2023-1
Title: Metal-metal bonds waiting to be discovered
Assigned Hours: 272.160
IP’s: Marcel Swart
Period: 01/03/2022 – 30/06/2023


Project ID: BSC-2023-1
Title: Improving Ziegler-Natta catalysts for polyolefin production
Assigned Hours: 580.600
IP’s: Albert Poater
Period: 01/03/2022 – 30/06/2023
Project ID: BSC-2023-1
Title: Single atom metals embedded on twodimensional g-C3N4 for Hydrogen evolution reaction: Surface or Monolayer?
Assigned Hours: 691.000
IP’s: Albert Poater
Period: 01/03/2022 – 30/06/2023


Project ID: CSUC-2023-2
Title: M1/C3N4 for CO2RR: Next step after predicting the performance of the competitive Hydrogen evolution reaction
Assigned Hours: 1.324.000
IP’s: Albert Poater
Period: 01/07/2023 – 31/10/2023
Project ID: UZ-2023-2
Title: Endohedral fullerene-perovskite systems for solar cell applications
Assigned Hours: 774.000
IP’s: Miquel Solà
Period: 01/07/2023 – 31/10/2023


Project ID: DATA-2020-1-0016
Title: ioChem-BD
Assigned Hours: 1.457.280
IP’s: Marcel Swart, Miquel Solà, Sílvia Osuna (IP: Carles Bo, ICIQ)
Period: 01/01/2021 – 31/12/2023


La Caixa Bank Foundation

Project: Development of Sustainable Chemical Processes with Earth Abundant Metals (SUSCHEMEARTH project)
Researcher: Dr. Alicia Casitas (M. Swart)
Reference: LCF/BQ/LR18/11640006
Funding: 305.700 €
Period: 01/07/2018 – 30/06/2019


Universitat de Girona. Ajut per a la millora de la productivitat científica dels grups de recerca de la UdG

Project: Química predictiva a l’espai confinat
Researcher: Dr. Marcel Swart
Reference: MPCUdG2016-96
Funding: 345.000 €
Period: 01/01/2016 – 31/12/2018


CSCS National Call

Grant: CSCS National Call
Project ID: ACCEL-CoV-2: Accelerating the exploration of molecular and dynamical SARS-CoV-2/hACE2 recognition and inhibition mechanisms
Researcher: Dr. Ferran Feixas, Dr. Marc Garcia-Borràs
Reference: COVID19-27
Assigned Hours: 5600 GPU node calculations
Period: 04/2020-07/2020


Postdoc UdG

Project: Postdoc-UdG
Researcher: Dr. Olga Stasyuk
Reference: POSTDOC-UdG2021/31
Funding: 57.406 €
Period: 1/10/2021 – 30/09/2023



Collaboration agreement

– Repsol YPF S.A. (M. Solà, 05/05/2012 – 04/05/2013)
– Fundació Catalunya – La Pedrera (S. Simon, 08/04/2013 – 07/10/2013)
– Aula Escola Europea SA (M. Swart, 30/06/2013 – 29/06/2015)
– Aldrich Chemical Co. (M. Costas, 06/09/2013 – 05/09/2016)
– CNRS – Universite de Toulouse, Universitat de Barcelona, Universitat Rovira i Virgili ( X. Ribas, 01/01/2015 – 31/12/2018)
– CNRS – Universite de Toulouse (A. Pla, 04/01/2016 -03/04/2016)
– Instituto Biomar S.A (S. Osuna, 20/03/2017 – 30/08/2017)
– Fundació Princesa de Girona (S. Simon, 06/05/2017 – 30/06/2018)
– Xeros Ltd. (A. Pla-Quintana, 21/09/2017 – 20/09/2019)
– Laboratoris Hipra SA (M. Costas, X. Ribas, 21/11/2018 – 20/01/2019)
– PROTEUS – SEQENS (Sílvia Osuna, 2022 – 2023) (38.399,44 €)
– Fundació Institut Jaume Vicens Vives de Girona (Ferran Feixas, 2016 – 2023) (86.800 €)
– Repsol (Marc Garcia-Borràs, 2023) (18.622,85 €)


Outreach

– FECYT 2013 “Las Seis Noches de los Investigadores. Cómo ha cambiado la percepción de los investigadores y la Ciencia!” (S. Simon, 2013)
– FECYT 2014 “De la Magia de la Ciencia a la Ciencia de la Magia”FCT-14-9228 (M. Duran, 2014)
– FECYT 2015 “Ciencia abierta para una ciudadanía científica: redes flexibles y campus presenciales para jóvenes y mayores” (M. Duran, 2015)
– FECYT 2016 “Resultados de investigación y su comprensión compleja: comunicando ‘low-cost’” FCT-16-11708 (S. Simon, 2016)
– FECYT 2016 “Campus de Verano de Magia y Ciencia FCT-16-11638 (M. Duran, 2016)
– FECYT 2017 “III Campus de Verano de Magia y Ciencia” FCT-17-12561 (M. Duran, 2017)
– FECYT 2020 “¡Ponte Bata!” (S. Simon, 2020)