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 Starting Grants


Project: Network models for the computational design of proficient enzymes (NETMODEZYME)
Researcher: Dr Sílvia Osuna
Reference: ERC-2015-StG-679001
Funding: 1.400.000 €
Periode: 2016 – 2020
Project: Sustainable C-X and C-H Functionalization Catalyzed by Copper(III) Species (SUSCATCU3)
Researcher: Dr. Xavi Ribas
Reference: ERC-2011-StG-277801
Funding: 1.490.000 €
Periode: 2011 – 2017




ERC Proof of concept


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

Marie Skłodowska-Curie Actions

ERC


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 €)
Periode: 2016 – 2020


Marie Skłodowska-Curie Individual Fellowships (IF)


Project: Accelerating metal-directed assembly, recognition and catalysis with computational methods (MetAccembly)
Researcher: Dr. Ferran Feixas
Reference: H2020-MSCA-IF-2014-661160
Funding: 158.121 €
Periode: 2015 – 2017
Project: Computational evolution of enzyme variants through conformational networks (EnzVolNet)
Researcher: Dr. Javier Iglesias-Fernández
Reference: H2020-MSCA-IF-2016-753045
Funding: 158.121 €
Periode: 2017 – 2019


Marie Curie Career Integration Grant (CIG)


Project: Computational Exploration of Directed Evolution rules for turning enzymatic activities (DIREVENZYME)
Researcher: Dr. Sílvia Osuna
Reference: PCIG14-GA-2013-630978
Funding: 100.000 €
Periode: 2014 – 2018
Project: Key insights into oxidation chemistry through synthetic systems: N2O activation with first-row transitionmetals and O2 activation in heterobimetallic Fe-Ni systems (NewOxMet)
Researcher: Dr. Anna Company
Reference: FP7-PEOPLE-2011-CIG-303522
Funding: 100.000 €
Periode: 2013 – 2017


COST Actions

ERC


Project: XUV/X-ray light and fast ions for ultrafast chemistry (XLIC)
Researcher: Dr. Lluís Blancafort
Reference: CM 1204
Funding: Participant
Periode: 2013 – 2017


Project: Explicit Control Over Spin-states in Technology and Biochemistry (ECOSTBio)
Researcher: Dr. Marcel Swart
Reference: CM 1305
Funding: 568.000 €
Periode: 2014 – 2018


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


ICREA Acadèmia Awards

ERC


Project: Programa ICREA Acadèmia 2015
Researcher: Dr. Xavi Ribas
Reference: ICREA Acadèmia 2015
Funding: 205.000 €
Periode: 2015 – 2019
Project: Programa ICREA Acadèmia 2014
Researcher: Dr. Miquel Solà
Reference: ICREA Acadèmia 2014
Funding: 205.000 €
Periode: 2014 – 2018


Project: Programa ICREA Acadèmia 2013
Researcher: Dr. Miquel Costas
Reference: ICREA Acadèmia 2013
Funding: 205.000 €
Periode: 2013 – 2017


MINECO Projects

ERC


Proyectos I+D


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 €
Periode: 2016 – 2018
Project: Computación del estado excitado: De espectros moleculares a sistemas multicromofóricos (MSPEC-MCHROM)
Researcher: Dr Lluís Blancafort
Reference: CTQ2015-69363-P
Funding: 58.080 €
Periode: 2016 – 2018


Project: Estudio del papel de las variantes genéticas en regiones no exónicas en el Síndrome de Brugada (Regulome-seq)
Researcher: Dr Sara Pagans & Dr Miquel Duran
Reference: SAF2015-70823-R
Funding: 108.900 €
Periode: 2016 – 2018
Project: Spin state and enzymatic catalysis based on bottom-up computational design (SPINENZYMECAT)
Researcher: Dr Marcel Swart & Dr Sílvia Osuna
Reference: CTQ2014-59212-P
Funding: 116.160 €
Periode: 2015 – 2017


Project: Estudios teorico-experimentales de ciclaciones catalizadas por metales de transición. Nuevos desarrollos en aromaticidad, funcionales de la densidad y química supramolecular (CICATMET)
Researcher: Dr Miquel Solà & Dr Anna Roglans
Reference: CTQ2014-54306-P
Funding: 196.020 €
Periode: 2015 – 2017
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 €
Periode: 2017 – 2019


Proyectos Europa Excelencia


Project: Spin state catalysis trought density-consistent molecular modelling (SpinStateCat-EurExc)
Researcher: Dr. Marcel Swart
Reference: CTQ2015-70851-ERC
Funding: 60.000 €
Periode: 2015 – 2017


Proyectos Explora Ciencia


Project: Processive Synthesis of Well-defined Carbon Nanotubes by Visible Light Photocatalysis of Radical-Cation Diels-Alder Reactions (CaNaDARC)
Researcher: Dr. Agustí Lledó
Reference: CTQ2014-61629-EXP
Funding: 54.450 €
Periode: 2015 – 2017


Proyectos Redes de Excelencia


Project: Materiales orgánicos optoelectrónicos para la energía (ORGENERGY)
Researcher: Dr. Miquel Solà
Reference: CTQ2016-81911-REDT
Funding: 18.000 €
Periode: 2017 – 2019
Project: Complejos metálicos biomiméticos: Utilización de oxígeno, hidrógeno y dióxido de carbono (H2BioCatO2)
Researcher: Dr. Miquel Costas & Dr. Xavi Ribas
Reference: CTQ2015-71470-REDT
Funding: 30.000 €
Periode: 2016 – 2018


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


Project: Theoretical Structure/Activity Relationship Screening of Water Oxidation Catalysts For the Generation of H2 (WOC-ENERGY-SCREENING)
Researcher: Dr. Albert Poater
Reference: CTQ2014-59832-JIN
Funding: 143.000 €
Periode: 2015 – 2018


Programa Ramon y Cajal


Project: Programa Ramón y Cajal
Researcher: Dr. Sílvia Osuna
Reference: RYC-2014-16846
Funding: 308.600 €
Periode: 2016 – 2020
Project: Programa Ramón y Cajal
Researcher: Dr. Agustí Lledó
Reference: RYC-2012-11112
Funding: 208.600 €
Periode: 2014 – 2019


AGAUR Projects

ERC


Project: Química teòrica i Modelatge i Enginyeria molecular (QTEMEM)
Researcher: Dr. Lluís Blancafort
Reference: 2014 SGR 1202
Funding: 48.000 €
Periode: 2014 – 2017
Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DIMOCAT)
Researcher: Dr. Miquel Solà
Reference: 2014 SGR 931
Funding: 38.400 €
Periode: 2014 – 2017


Project: Química Bioinspirada, Supramolecular i Catàlisi (QBIS-CAT)
Researcher: Dr. Miquel Costas
Reference: 2014 SGR 862
Funding: 38.400 €
Periode: 2014 – 2017

RES Projects

ERC


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: Water splitting reactivity of phosphorous doped 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: Optical spectra of DNA oligomers and polymers simulated with real time-dependent density functional theory
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: QCM-2017-1-0029
Title: Challenging spin states of iron clusters
Assigned Hours (in thousands): 200
IP’s: Marcel Swart


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: 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: QCM-2013-2-0027
Title: Multi-scale modeling of heme-proteins NMR chemical shifts
Assigned Hours (in thousands): 324
IP’s: Marcel Swart
Project ID: QCM-2013-2-0012
Title: Characterization of supramolecular host-guest cages
Assigned Hours (in thousands): 84
IP’s: Marcel Swart


Project ID: QCM-2013-2-0004
Title: Molecular chemistry of Alzheimer’s disease
Assigned Hours (in thousands): 130
IP’s: Marcel Swart
Project ID: QCM-2013-1-0010
Title: Catalytic mechanism of the Complex II family enzyme Succinate: quinone oxidoreductase (SQR)
Assigned Hours (in thousands): 50
IP’s: Marcel Swart


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: 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-2013-1-0011
Title: Exploring enzyme catalysis of a series of Directed Evolution ADH mutants
Assigned Hours (in thousands): 33.04
IP’s: Ken Houk