Curriculum
Vitae of Prof. Francesc ILLAS
Born in Barcelona, November
13th, 1954
Researcher ID RID: C-8578-2011
(Updated, March
27th, 2024)
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Education
1972-1977, BS Chemistry, University
of Barcelona.
1977-1978, MS Chemistry,
University of Barcelona.
1980-1982, Ph. D. in
Physical Chemistry at the Universitat de Barcelona,
Profs. J. Virgili and F. Sanz supervisors. Ph. D. degree obtained on July, 1982 (cum laude).
Present position
Full Professor of Physical Chemistry
Departament de Ciència
de Materials i Química Física & IQTCUB, Facultat de Química,
Universitat de Barcelona, C/ Martí Franqués 1, 08028 Barcelona, Spain
Tel. +34-3-402 12 29;
Fax +34-3-402 12 31.
E-mail: francesc.illas@ub.edu
University positions
1979-1982 - Assistant Professor, Departament de Química Física, Facultat de Química, Universitat de Barcelona.
1982-1984 - Associate Professor, Departament de Química Física, Facultat de Química de Tarragona, Universitat de Barcelona.
1984-1986 - Associate Professor, Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona.
1986-1992 - Associate Professor, Departament de Química Física, Facultat de Química, Universitat de Barcelona.
1992-now - Full Professor of Physical Chemistry, Departament de Ciència de Materials i Química Física, Facultat de Química, Universitat de Barcelona.
Visiting scientist
Dipartimento di Chimica, Universita della Calabria, Host: Prof. Nino Russo,
June-July 1983
Laboratoire
de Physique Quantique, Université Paul Sabatier, Toulouse, France, Host: Prof. Jean Paul Malrieu, September 1983, October-December
1985
IBM
Almaden Research Center, San Jose, California, USA,
Host: Dr. Paul S. Bagus, October 1989-September 1990,
July-September 1993, July 1996
Los
Alamos National Laboratory, USA Host: Dr. Richard L.
Martin, August 1996
Instituto Mexicano del Petroleo, Mexico, Host: Drs. I. Garcia-Cruz and M. Martinez-Magadan, July 2002
Excellence
Centre of Advanced Materials Research and Technology, Institute of Solid State Physics, University of Latvia, Host: Prof.
Eugene Kotomin, June 2003
Center of Nanotechnology, Kasetsart University, Bangkok, Thailand, Host: Prof. Jumras Limtrakul, August 2011
Invited Professor
Dipartimento di Chimica, Universita della Calabria; February 1997
Laboratoire
de Chimie Theorique, Universite
Pierre et Marie Curie, Paris; June 2000 and February 2007
Scientific
Consulting for companies and R+D institutions
REPSOL
I+D, 1995-19996, interpretation of XPS of carbon cokes, see JACS 118 (1996)
8071, Fuel, 76 (1997) 1347
Instituto
Mexicano del Petroleo, 2002-2003, various aspects of
simulations at molecular level
INAEL,
2011-2015, modelling photocatalysis
Professional
service
Administration
Secretary
of the Chemistry Faculty of the University of Barcelona at Tarragona
(1983-1985)
Secretary
of the CeRQT (Research Center
for Theoretical Chemistry) of the University of Barcelona (1999-2001)
Director
of the CeRQT (Research Center
for Theoretical Chemistry) of the University of Barcelona (2001-2007)
Director
of the Institute of Theoretical and Computational Chemistry of the University
of Barcelona (IQTCUB) (2008-2018)
Director of the Xarxa d’I+D+I
de Referencia de Quimica Teòrica i Computacional de Catalunya (2006-2019)
Head of the Physical Chemistry
section of the Materials Science and Physical Chemistry Department of the
University of Barcelona (2018-present)
Editorial
Board Membership
a) Standard
“classical” scientific journals
Member
of the Editorial Board of Surface Science (2012-now)
Member
of the Editorial Board of Theoretical Chemistry Accounts (2012-now)
Member of
the Editorial Board of Current Catalysis (2012-2015)
b)
Electronic scientific journals
Member of
the Editorial Board of the International Journal of Molecular Sciences
(2000-2006 and 2008-2016)
Member of
the Editorial Board of the Electronic Journal of Mathematical and Physical
Sciences (2002-now)
Member of
the Editorial Board of the International Journal of Applied Chemistry
(2005-now)
Member of
the Editorial Board of the The Open Catalysis Journal (2008-2015)
Member of
the Editorial Board of Reports in Theoretical Chemistry (2011-2016)
Committee
Appointments
Member of
the selection committee of the Ramon y Cajal research positions, 2001
Member of
the Chemistry research panel for research projects funding by the Spanish Ministerio de Ciencia y Tecnología, 2003 and 2011.
Coordinator
of sciences area for the funding agency of the Catalan Government Agency AGAUR,
de Catalunya, (2002-2005).
Member of the evaluation committee of the Laboratorie de Chimie Theorique
de la Université Pierre et Marie Curie de Paris, appointed by the CNRS, November 2003
Member of
the evaluation committee of the Laboratorie de Chimie
de l’Ecole Normal Supérieure de Lyon appointed by the
CNRS, November 2005
Spanish
representative management committee member of action COST-D41, Inorganic
oxides: surfaces and interfaces, 2006-2010.
Member of
the International Advisory Board of the Materials Simulation Laboratory at
University College London.
Member of
panel PE4 of the European Research Council for Advanced Research Grants, 2012-2017.
Member of
PE4 panel to select proposals for PRACE 7th Regular Call, 2013
Spanish representative
management committee member of action COST CM1104, Reducible oxides, 2012-2016.
Member of
the Scientific Advisory Board of Institut de Química Computacional i Catàlisi, Universitat
de Girona, Spain, 2014-2021
Collaborator
of Spanish Research Agency (Agencia Estatal de Investigación, AEI,
2018-2021.
Spanish
representative management committee member of action COST Action CA18234,
Computational materials sciences for efficient water splitting with
nanocrystals from abundant elements, 2019-2022.
Publications
and conferences
Publications
in refereed journals: ~ 700
Books: 1
Book
chapters: 20
Citation
index: ~ 30.000 citations in Web of Science; ~ 36.000 citations in Google
Scholar
h-Index: 83 (ISI Web of Science); 91 (Google Scholar citation)
Ranked by
ISI Essential Science Indicators among the Most Cited Authors in Chemistry
Invited
conferences: ~ 130
Special
issues:
· Special Issue of Journal of
Molecular Catalysis, Vol. 119, 1997, papers from the “6th International Conference on Theoretical Aspects of
Heterogeneous Catalysis”, held in Tarragona, Spain in June 1996. F. Illas,
P.S. Bagus and J.M. Ricart (Guest Editors)
· Special Issue of International
Journal of Molecular Sciences (http://www.ijms.org/), Vol. 2, Issue 5, November 2001, “Elementary Steps in
Heterogeneous Catalysis: Theory and Experiment”. Papers from Euroconference on Molecular Mechanism of Heterogeneous
Catalysis held in
San Feliu de Guixols, Spain, in June 2001; F. Illas
and J .M. Ricart (Guest Editors)
· Special issue Journal of Molecular
Structure THEOCHEM, Vol. 946, 2010, devoted to “Achievements and Challenges of Computational
Chemistry in Portugal – Selection of Papers Presented at the Portuguese Society
Conference of Physical Chemistry, 9ENQF-Portuguese Society
Conference of Physical Chemistry”, Aveiro, Portugal, 15-16 June 2009 J. L. Rivail, J. R.B. Gomes and F. Illas (Guest Editors)
Awards
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2001 Distinguished
Professor Mention for the University Research Promotion awarded by the Generalitat de Catalunya, Spain. |
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2004 Bruker Physical Chemistry Research Award of the Spanish Royal
Society of Chemistry |
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2009 ICREA Academia Award for excellence in University Research, spanning the 2010-2014 period |
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2009 Elected Fellow Member of the European Academy of Sciences |
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2015 ICREA Academia Award for excellence in University Research, |
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2017 Elected Fellow Member of the Academia Europaea |
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2022 Medal of the Chemistry Spanish Royal Society |
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Memberships
Societat Catalana de Quimica (1993)
Real Sociedad Española de Química (2003)
World
Association of Theoretically Oriented Chemists (2005)
American
Chemical Society (2007)
Spanish
Society of Catalysis (2015)
Organization
of scientific conferences and schools
Chairman of
the specialised course “Experimental Techniques and Theoretical
Interpretation in Surface Science”
by Prof. Fulvio Parmigiani, Universitat de Barcelona, September 1991
Chairman of
the specialised course “Theory of Chemisorption and Surface Electronic
Structure” by Dr. Paul S. Bagus, Universitat de Barcelona, April 1993.
Chairman of
the “6th International Conference on Theoretical Aspects of
Heterogeneous Catalysis”, Tarragona, Spain, June 1996.
Chairman of
the International Workshop “Large Scale Computations in Chemistry.
Applications to Material Science”, Barcelona, June 1996.
Chairman of
the specialised course “Density Functional Theory. From Fundamentals to
Applications in Chemistry” by Prof. Notker Rösch,
Centre de Supercomputació de Catalunya, Barcelona, September 1998.
Chairman of
the Euresco conference “Molecular Mechanisms of
Heterogeneous Catalysis” corresponding to the Fundamental Aspects of
Surface
Science
series, San Feliu de Guixols, Spain, June 2001
Co-chairman
of the Euresco “Structure and reactivity of
oxide surfaces” corresponding to the Fundamental Aspects of Surface Science
series,
Acquafreda di Maratea, Italy, June 2002
Organizing
committee member of the “Theoretical Chemistry: Modelling reactivity from
gas phase to biomolecules and solids, Celebrating 25
years of the Theoretical Chemistry network of Catalonia (Spain)”; dedicated
to Prof. Santiago Olivella on occasion of his 65th birthday,
Barcelona, from 29 June to 3 July 2009)
Chairman of
the workshop “New trends in computational chemistry for industry
applications”, Barcelona, July 6th-7th, 2009
Chairman of
the “2nd Workshop on New
trends in Computational Chemistry for Industry Applications”, Barcelona,
May 26th-27th 2011.
Chairman of
the “Theoretical Modelling of Materials”,
a satellite meeting of the World Association of Theory Oriented Chemists”,
WATOC 2011,
Barcelona July 13-15, 2011.
Chairman of
the “3rd Workshop on New
trends in Computational Chemistry for Industry Applications”, Barcelona,
May 23th-24th 2013.
Chairman of
the “4th Workshop on New
trends in Computational Chemistry for Industry Applications”, Barcelona,
October 2nd-3rd 2015.
Chairman of
the “5th Workshop on New
trends in Computational Chemistry for Industry Applications”, Barcelona,
October 3rd 2017.
Co-organizer of the “Computational materials
science for sustainable energy using nanocatalysts
from abundant elements” symposium of the European Materials Research Society
(E-MRS) Fall Meeting and Exhibit held in Warsaw, September 2019, Warsaw.
Participation in the scientific committee of congresses and schools
Member of the Scientific Committee of the “XXIII
Congreso de Químicos Teóricos
de Expresión Latina”,Caceres,
Spain, September 1996.
Member of the Scientific Committee of the “7th
International Conference on Theoretical Aspects of Heterogeneous Catalysis”,
Cambridge,
United Kingdom, August,
1998.
Member of the Scientific Committee of the “Workshop
on Condensed Matter Physics: Applications of the Density Functional Theory and
Methods of Quantum Chemistry”, XV Cursos de Verano de la Universidad de Cantabria, Laredo, Spain, June 1999.
Member of the Scientific Committee of the”8th
International Conference on Theoretical Aspects of Heterogeneous Catalysis”,
La colle sur Loup, France, June,
2000.
Member of the Scientific Committee of the “XXVI
International Conference on Theoretical Chemists of Latin Expression”, Caxambu, Brazil, September, 2000.
Member of the National Advisory Board of the “5th
International Conference on Spillover”, San Lorenzo del Escorial
, Madrid, September, 2001.
Member of Advisory Board for the “9th
International Conference on Theoretical Aspects of Catalysis”, Zakopane,
Poland, June 25-30, 2002
Member of the Scientific Committee of the “XXX
International Conference on Theoretical Chemists of Latin Expression”,
Porto, Portugal, September, 2004.
Member of the scientific committee of the “II
Simposium de Jovenes Investigadores
RSEQ-Sigma-Aldrich”, Ciudad Real, 22-25 November 2005
Member of Advisory Board for the “Xith International Conference on Theoretical
Aspects of Catalysis”, Berlin, Germany, June 12-15, 2006
Member of the Scientific Committee of the “XXXII
International Conference on Theoretical Chemists of Latin Expression”,
Côtes de Carthage, Tunisie, September,
2006.
Member of the Scientific Committee of the “XXXIII
International Conference on Theoretical Chemists of Latin Expression”, La
Habana, Cuba, September, 2007
Member of the International Advising Committee
of “The fourth San Luis Symposium on Surfaces, Interfaces and Catalysis”,
Cuernavaca, Mexico, March 2007
Member of Advisory Board for the “XIIth International Conference on Theoretical
Aspects of Catalysis”, Varna, Bulgaria, June 2008
Member of the Scientific Committee of “IBER
2008, the 9th Iberian Joint meeting on atomic and molecular physics”,
Capuchos, Portugal, September,
2008
Member of Advisory Board for the International Conference on Materials
Informatics and DFT, University Abou Bekr
Belkaid, Tlemcen, Algeria, October 2008
Member of Advisory Board for the “13th
International Conference on Theoretical Aspects of Catalysis”, Matsushima,
Japan, June 2010
Member of the International Scientific
Committee of the Nano Thailand 2010
conference, Thailand
Science Park Convention Center (NSTDA) Pathumthani,
Thailand
Member of the International Advisory Committee
of the “9th triennial
congress of the World Association of Theoretical and Computational
Chemist, 2011 WATOC”, Santiago de Compostela, Spain,
June 2011
Member
of the Scientific Committee of the XL
International Conference on Theoretical Chemists of Latin Expression, San
Cristobal,
Galápagos,
Ecuador, November 2014
Member
of the Scientific Committee of the XLI
International Conference on Theoretical Chemists of Latin Expression,
Torino, Italy, July 2015
Member
of the International Program Committee of the 1st European Conference on Physical and Theoretical Chemistry,
Catania, Italy, September 2015
Member
of the Scientific Committee of the Reunión de la
Sociedad Española de Catálisis, SECAT’17, Oviedo, Spain, June,
2017
Member
of the Scientific Committee of the “Electronic
Structure: Principles and Applications”, ESPA 2018 International
Conference, Madrid, July 2018
Member
of the Scientific Committee of the “Electronic
Structure: Principles and Applications”, ESPA 2020 International
Conference, Vigo, July 2021
Research interests
The research activities
can be broadly described as Electronic Structure of Surface and Solid State models using Quantum Chemistry methods. In
particular,
Electronic structure of
metal clusters.
Theory of chemisorption
and surface chemistry.
Molecular mechanisms in
heterogeneous catalysis.
Magnetic coupling in
ionic solids.
Interpretation of
optical, vibrational and photoemission spectra in solids and on surfaces.
Theoretical study of
adsorption and charge transfer at single crystal electrodes
Research grants
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Sponsor |
Project number |
Project title |
Years |
Amount |
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CICyT |
PB86-0032 |
Desarrollo
de modelos no empíricos de actividad catalítica en sistemas de interés
tecnológico. |
1987-1989 |
7.254.000 pta |
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EC |
SCI-173/89 |
Science Program EU |
1989 |
197.500 pta |
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CICyT |
PB89-0648-CO2-01 |
Estudio
de la estructura electrónica de nuevos materiales |
1990-1993 |
8.166.000 pta |
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CICyT |
PB92-0766-CO2-01 |
Estructura
electrónica de materiales con propiedades conductoras, magnéticas o
catalíticas |
1993-1996 |
10.750.000 pta |
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NATO |
CRG941191 |
A theoretical cluster model approach to
elementary steps in catálisis |
1993-1996 |
1.008.000 pta |
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CICyT |
PB95-0847-CO2-01 |
Modelos
ab initio en química de materiales |
1996-1999 |
11.000.000 pta |
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CIRIT |
1997SGR00167 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
1998-1999 |
1.050.000 pta |
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EC |
ERB-FMB-ICT 983279 |
Magnetic Interactions in Low Dimensional
Heisenberg systems |
1998-2000 |
17.460.544 pta |
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CICyT |
HI1998-0042 |
Simulaciones
mecano-cuánticas de reacciones catalíticas sobre superficies de materiales
cerámicos y metálicos |
1999-2000 |
1.320.000 pta |
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CICyT |
PB98-1216-CO2-01 |
Predicción
ab initio de propiedades electrónicas en química de materiales |
1999-2002 |
12.000.000 pta |
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CIRIT |
1999SGR00040 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2000-2001 |
1.050.000 pta |
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CICyT |
HA2000-0001 |
Agregados
metálicos soportados en óxidos: Estructura, enlace y reactividad 1 Euro=166.386 pta |
2000-2001 |
1.410.000 pta |
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CIRIT |
2001SGR0043 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2002-2005 |
42.000 € |
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DURSI |
Distinció Universitària |
Distinció de la Generalitat per a la promoció
de la Recerca Universitaria |
2002-2007 |
180.000 € |
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CICyT |
HI2001-0201 |
Simulación
mecano-cuántica de reacciones catalíticas sobre superficies de materiales
metálicos y cerámicos |
2002-2003 |
8.474 € |
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CICyT |
BQU2002-04029-CO2-01 |
Predicción
ab initio de parámetros derivados de la estructura electrónica en Química de
Materiales. Un punto de partida para la simulación no empírica de propiedades
macroscópicas |
2003-2005 |
119.750 € |
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EC |
MEIF-CT-2003-500155 |
Heterogeneous charge-transfer studied from ab
initio quantum chemical methods: Application to processes at electrodes and
scanning tunnelling images |
2004-2005 |
137.582 € |
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CIRIT |
2005SGR-00697 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2006-2009 |
43.200 € |
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CICyT |
CTQ2005-08459-CO2-01 |
Modelización
ab initio a escala molecular, nanoscópica y
macroscópica de materiales de interés tecnológico |
2006-2008 |
112.812 € |
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CICyT |
HP2007-0042 |
Adsorption and reactivity of gases on modified
TiO2(110) surfaces. |
2008-2009 |
6000 € |
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CICyT |
CTQ2007-30547-E/BQU |
ERA-Chemistry Project: Controlling selectivity
via nanostructuration of multifunctional model
catalysts |
2008-2011 |
51.700 € |
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CICyT |
FIS2008-02238 |
Type C roject Consolider:
Modelización ab initio de materiales de importancia tecnológica basados en
óxidos, metales y las combinaciones de ambos: de la escala nanométrica al
sistema extendido |
2009-2013 |
330.000 € |
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CIRIT |
2009SGR-1041 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2009-2012 |
47.840 € |
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MINECO |
PRI-PIBIN-2011-1028 |
India-Spain bilateral Project on Theoretical and
computational investigation of molecular magnets and extended systems as
candidates of exotic nanomaterials with useful properties |
2012-2014 |
81.000 € |
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MINECO |
CTQ2012-30751 |
Quantum-chemical study and computational design
of advanced materials |
2013-2015 |
107.000 € |
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DRG |
2014SGR97 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2014-2016 |
24.000€ |
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H2020 |
EINFRA-5-2015 |
Novel Materials Discovery Laboratory (NOMAD), NOMAD received a total of 4.910.624 € and is
coordinated by Prof. Matthias Scheffler from the Fritz-Haber-Institut der Max-Planck-Gesellschaft |
2015-2018 |
414.366€ |
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MINECO/FEDER |
CTQ2015-64618-R |
Understanding, controlling, and optimizing
heterogeneous catalysts and photocatalysts at the nanoscale. Application to
carbon dioxide conversion and hydrogen production |
2016-2019 |
164.560€ |
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DRG |
2017SGR13 |
Projectes de recerca per potenciar els
grups de recerca consolidats |
2017-2019 |
65.986€ |
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MINECO |
MDM-2017-0767 |
Maria de Maeztu
Excellence Award to the Institute of Theoretical and Computational Chemistry
of Universitat de Barcelona |
2019-2022 |
2.000.000 € |
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MICIUN |
RTI2018-095460-B-I00 |
Rational design of new
heterogeneous, electro-, and photocatalysts for a sustainable clean energy
production via greenhouse gases conversion and hydrogen generation |
2019-2021 |
229.900 € |
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DRG |
2021SGR79 |
Projectes de recerca per potenciar els grups de recerca reconeguts |
2022-2024 |
60.000€ |
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AEI |
TED2021-129506B-C22 |
Atom-Dispersed
Catalysts for the Thermo-Photo Valorization of CO2: Experimental
Design and Computational Modeling |
2022-2024 |
169.510€ |
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Relevant
national and international collaborations
Active
Prof. Gianfranco
Pacchioni, Chemistry, Universita di Milano-Bicocca, Italy
Prof. Jose A.
Rodríguez, Brookhaven National Laboratory, U.S.A.
Prof. Jose R. B. Gomes, University of Aveiro, Aveiro, Portugal.
Prof. Marcos Fernández-García, Instituto de Catálisis y Petroleoquímica, Madrid, Spain
Prof. Paul
S. Bagus, Chemistry, University of North Texas, U.S.A.
Prof.
Matthias Scheffler, Fritz-Haber Institut, Berlin,
Germany
Prof. Fariba
Nazari, Institute for Advanced Studies in Basic Sciences, Zanjan,
Iran
Past few years
Prof. Jinyong Lee, Sungkyunkwan University, Suwon, South Korea (last joint paper in 2019)
Prof. Jumras Limkatrul, Kasetsart University, Bangkok, Thailand (last joint paper in 2014)
Prof.
Michael Probst, University of Innsbruck, Innsbruck, Austria (last joint paper in 2014)
Prof. Frank
Hagelberg, Tennessee State University, Johnson City, USA. (last joint paper in 2014)
Prof. Donald
G. Truhlar, University of Minnesota, U.S.A. (last joint paper in 2014)
Prof.
Christian Minot, LCT-Jussieu, UPMC, Paris, France (last joint paper in 2014)
Prof. Alexis Markovits, LCT-Jussieu. UPMC, France (last joint paper in 2014)
Prof. Avelino
Corma, Instituto de Tecnología Quimica, Valencia, Spain (last joint paper in
2011)
Dr. Isidoro García-Cruz, Instituto Mexicano del Petroleo, México (last joint paper in 2010)
Prof.
Richard M. Lambert, Chemistry, University of Cambridge, U.K. (last joint paper in 2008)
Prof. Ha-Jo
Freund, Fritz-Haber Institut, Berlin, Germany (last joint paper in 2008)
Dr. Manuel Martínez Magadán,
Instituto Mexicano del Petroleo, México (last joint paper in 2008
Prof. Jean Paul
Malrieu, Physics, Université Paul Sabatier, Toulouse,
France (last joint paper in
2007)
Prof.
Nicholas M. Harrison, Chemistry, Daresbury Lab. & Imperial College, U.K. (last joint paper in 2006)
Prof. Vincenzo
Barone, Scuola Normale Superiore, Pisa, Italy ((last joint paper in 2006)
Prof.
Bernard Silvi, Chemistry, LCT-Jussieu, UPMC, Paris,
France (last joint paper in
2004)
Prof. Notker
Rösch, Chemistry, Technische Universität München, Germany (last joint paper in
2002)
Dr.
Richard L. Martin, Chemistry, Los Alamos National Laboratory, U.S.A (last joint paper in 2002)
Prof. Nino Russo,
Chemistry, Universita della Calabria, Italy (last joint paper in 2001)
Prof. Roberto
Dovesi, Chemistry, Universita di Torino, Italy (last joint paper in 2000)
Teaching
activity
Prof. Illas lectured Chemical Thermodynamics, Quantum Chemistry,
Spectroscopy, Physical Chemistry of Surfaces and Surfaces and Catalysis courses
to students of Chemistry Degree. He has given specialized courses for Ph. D.
students at the University of Barcelona and at the University of La Habana. He
has been professor of the Spanish interuniversitary Ph.D course in Theoretical and
Computational Chemistry in the two first editions (Universitat
Jaume I de Castelló and Universitat
de Valencia) in 2000 and 2001, respectively. He has been member of Ph. D.
committees at many Spanish Universities and at the Universities of Groningen,
Pierre et Marie Curie (Paris VI), Paul Sabatier (Toulouse), Poitiers, Université
de Provence (Marseille) and Universitá di
Milano-Bicocca (Milan). He has been the supervisor of 27 Ph. D. students and is
currently supervisor of 2 Ph. D. students and has hosted a large number of
post-doc and graduate students from many countries France (3), Italy (8),
England (2), Portugal (2), Germany (4), The Netherlands (2), Colombia (2),
Mexico (4), Korea (1) — and several invited professors worldwide.
Former Graduate Students
Dr. Josep Manel Ricart (Ph. D degree obtained in 1985), now Full Professor of Physical Chemistry at
the Universitat Rovira i
Virgili.
Dr. Jaime Rubio (Ph. D degree obtained in 1986), now Full Professor of Physical Chemistry at the Universitat
de Barcelona.
Dr. Javier Luque (Ph. D degree obtained in 1989), co-supervised by Dr. Ramon Pouplana, now Full Professor of Physical Chemistry at
the Universitat de Barcelona.
Dr. Margarida Bachs (Ph. D degree obtained in
1991), co-supervised by Dr. Jaime Rubio.
Dr. Manuel Blanco (Ph. D degree obtained in 1992), co-supervised by Dr. Jaime Rubio, former
Professor at Instituto de Física, Universidade
Federal de Bahia in Brasil
Dr. Carme Sousa (Ph. D degree obtained in 1994), Extraordinary
Mention Award, now Full Professor
of Physical Chemistry at the Universitat de
Barcelona.
Dr. Jordi Casanovas (Ph. D degree obtained in 1995), now Associated Professor of Physical Chemistry at the Universitat de Lleida.
Dr. Empar Lorda (Ph. D degree obtained in 1995), now research technical support staff member
at Universitat Internacional de Catalunya.
Dr. Núria López (Ph. D degree obtained in 1999), Extraordinary
Mention Award, now Group Leader at
the Institut Català d‘Investigacions Químiques (ICIQ).
Dr. Maite García-Hernández (Ph. D degree obtained in 2001), Extraordinary Mention Award, former Post-Doc at the Technical University of Munich.
Dr. Iberio de P.R. Moreira (Ph. D degree obtained in 2001), former Marie Curie postdoc at Universita’ degli Studii di Torino, now
Associated Professor of Physical Chemistry at the Universitat
de Barcelona.
Dr. David Domínguez-Ariza (Ph. D degree obtained in 2003), co-supervised by Dr.
Carmen Sousa.
Dr. David Muñoz Ramo (Ph. D degree obtained in 2004), co-supervised by Dr.
Iberio de P.R. Moreira, former
post-doc at University of Cambridge after having been postdoc at the University
College in London. Now at Cambridge Quantum Computing Ltd
Dr. Javier Carrasco Rodriguez (Ph D obtained in 2006), co-supervised by Dr. Nuria Lopez, Extraordinary
Mention Award, former Ramon y Cajal Felllow
at Instituto de Catálisis y Petroleoquímica
(CSIC) in Madrid following an Alexander von Humboldt post-doc at the
Fritz-Haber-Institut der Max-Planck-Gesellschaft in
Berlin. Now group leader at CIC-enegiGUNE, Alava,
Basque country
Dr. Silvia González-Pérez (Ph. D obtained in 2007), co-supervised by Dr.
Carmen Sousa, now Associated Professor at
Universidad Particular de la Loja, Ecuador.
Dr. Daniel Torres Rangel (Ph. D obtained in 2007), co-supervised by Dr. Núria López, former post-doc at Brookhaven National Laboratory, Argonne National Laboratory
and Beatriu de Pinós Post-doc at the Ecole Normale deChimie, Lyon.
Now Associate Professor at New York City College of Technology
Dr. Francesc Viñes Solana (Ph D obtained in 2008)
co-supervised by Dr. Carmen Sousa, Extraordinary Mention Award, former Alexander von Humboldt post-doc at
the Friedrich-Alexander-Universität Erlangen-Nürnberg, Juan de la Cierva
Postdoctoral contract at the Universitat de Barcelona
and Ramon y Cajal Fellow at Universitat de Barcelona. Now Associate Professor at Universitat de Barcelona
Dr. Sebastien Fernandez (Ph D obtained in 2008), co-supervised by Dr. Alexis Markovits, Dr Christian Minot (Université Pierre
et Marie Curie) and Dr. Gianfranco Pacchioni (Universita di Milano-Bicocca) to obtain double PhD degree
at Universitat de Barcelona and Université Pierre et
Marie Curie. Now Responsable administratif
- Institut de Formation Doctorale
- Sorbonne Université
Dr. Alberto Roldán Martínez (Ph D obtained in 2010), co-supervised by Dr.
Josep Manel Ricart, Extraordinary Mention
Award, now Ramsay Fellow at Cardiff
University after postdoc at the University College London.
Dr.
Pablo Rivero Moreno (Ph. D obtained in 2010), co-supervised by Dr. Ibério de P.R. Moreira, former postdoc at Rice University, Texas and at postdoc at Arkansas
University. Now working at a
company
Dr. Albert Bruix Fusté
(Ph D obtained in 2014), co-supervised by Dr.
Konstantin Neyman, former postdoc at Technical University Munich and Marie Curie postdoc at
Aarhus University, Denmark, now
Beatriu de Pinós
postdoc at Universitat de Barcelona
Dr. Ilker Demiroglu (Ph D obtained in 2014),
co-supervised by Prof. Stefan Bromley, former
postdoc at University of Birmingham,
now at Eskisehir Technical University
Dr. Gian Giacomo Asara (PhD obtained in 2014),
co-supervised by Prof. Josep Manel Ricart, former postdoc at King’s College London. Now Editor in Chief of International Journal of Quantum Chemistry.
Dr. Daniel Reta Mañeru
(PhD obtained in 2016, co-supervised by Prof. Ibério
de P. R, Moreira), now postdoc at The
University of Manchester
Dr. Oriol Lamiel Garcia (PhD obtained in 2017), co-supervised
by Prof. Stefan Bromley, former postdoc at University of Bath
Dr. Sergio Posada Pérez (Ph D obtained in 2018), Extraordinary Mention Award, co-supervised by Prof. Francesc Viñes, former
postdoc at Université Catholique de Louvain,
now Marie Curie postdoc at Universitat de Girona.
Dr. Isaac Alcon Rovira (Ph D obtained in 2018), co-supervised by Prof.
Stefan Bromley, former postdoc at Technical University of Denmark, now
postdoc at Freie Universität Berlin
Dr. Hector Prats Garcia (Ph D obtained in 2019), co-supervised by Prof.
Ramón Sayós, Extraordinary
Mention Award, now postdoc at Oxford University after a Marie Curie
postdoc at University College London and a postdoc at Denmark Technical
University.
Dr. Antoni Macià Escatllar
(PhD obtained in 2020), co-supervised by Prof. Stefan
Bromley, Now Data Analyst at Optimus Price
Dr. Marc Figueras Valls (PhD
obtained in 2021), co-supervised by Prof. Francesc Viñes, former postdoc at Wisconsin University, now back
as postdoc to UB
Dr. Anabel Jurado Mañas (PhD obtained in 2022), co-supervised by Dr. Angel Morales Garcia
Dr. Martí Lopez Berbel (PhD obtained in 2023), co-supervised by Prof. Francesc Viñes
Dr. Pablo Lozano Reis (PhD obtained in 2023), co-supervised by Prof. Ramón Sayós, now postdoc
at Duisburg-Essen University
Present
Graduate Students
Ling Meng (PhD
started in 2021), co-supervised by Prof. Francesc Viñes
Eleonora
Romeo (PhD started in 2021), co-supervised by Dr. Federico Calle-Vallejo
Nestor
Garcia Romeral (PhD
started in 2024), co-supervised by Dr. Angel Morales
Wei Cao (PhD started in 2024), co-supervised
by Prof. Francesc Viñes
Postdocs
Prof. Alexis
Markovits, HMC fellowship, 1998-1999, now
Full Professor at UPMC, Paris.
Prof. Peter
Reinhardt, HMC fellowship, 1999, now Maitre de Conferences at UPMC, Paris.
Prof. Coen
de Graaf. Marie Curie fellowship, 1999-2000,
now ICREA Research Professor at Universitat Rovira i Virgili.
Prof. Carmen
Sousa, Ramon y Cajal fellowship, 2001-2006, now
Associated Professor of Physical Chemistry at Universitat
de Barcelona.
Prof. Núria
López. Ramon y Cajal fellowshio 2001-2005, now Group Leader at the Institut Català d‘Investigacions
Químiques (ICIQ)
Dr. Jose
Richard Baptista Gomes, Portuguese Government fellowship, 2002-2003, now researcher at Aveiro University.
Prof. Ibério de Pinho Riberio Moreira, Ramon y Cajal fellowship, 2003-2008, now Associated Professor of Physical
Chemistry at Universitat de Barcelona.
Prof. Stefan
T. Bromley, Ramon y Cajal fellowship, 2005-2008, now ICREA Research Professor at Universitat
de Barcelona
Dr. Annapaola Migani, Marie Curie
fellowship, 2004-2005, Beatriu de Pinos 2006-2007, former Ramon y Cajal at CIN 2 (2013-2017), now Research Intelligence at Elsevier.
Dr.
Christof Loschen, Humbold fellowship (co-supervised by Prof. Konstantin
Neyman), 2006-2007, now computational chemist at Covestro.
Dr.
Marcos May, Mexican Government fellowship, 2008-2009, now Lecturer at UAM
Azcapotzalco.
Dr. Jacek
Wojdel, Beatriu de Pinos fellowship, 2006-2008, former postdoc at ICMAB. Now at Building teams building services
Dr. Juan
Radilla, Mexican Government fellowship, 2010, now Lecturer at UAM Azcapotzalco.
Dr. Lety Feria, Mexican Government fellowship, 2008-2009, former postdoc at Universidad Particular de Loja, Ecuador. Now at Departamento de Física y Química Teorica UNAM.
Dr. Martin Zwijnenburg, Juan de la Cierva
fellowship, former Lecturer &
EPSRC Career Acceleration Fellow at UCL, now Full Professor at UCL.
Prof. Jose
Roberto dos Santos Politi, Brazilian Government fellowship, 2012-2013, now Professor at Brasilia University
Dr.
Sergio Tosoni, INNPACTO program fellowship,
2011-2013, now Reseacher
at Universitá Milano-Bicocca
Dr. Francesc Viñes
Solana, Juan de la Cierva fellowship, 2011-2014 and
Ramon y Cajal Fellowship 2014-2019. Now Associate Professor at Universitat de Barcelona
Dr. Leny
Alvarez Falcon, Mexican Government fellowship, 2013-2015
Dr.
Kyoung Chul Ko, Korean Government fellowship. 2014-2016, now Associate
Professor at Chonnam University, Souht Korea
Dr. Angel Morales Garcia, Juan de la Cierva formación fellowship, 2017-2018 and Juan de la Cierva incorporación fellowship 2019-2020
Dr. Federico Calle Vallejo, Ramon y Cajal fellowship 2017-2022, now Ikerbasque researcher
Dr. Michel de
Oliveira Almeida, Brazilian
Government fellowship, 2021-2022
Dr. Maria
Voccia, TED project postdoc, 2023-2024
Dr.
Samadhan Kapse, TED project postdoc, 2023-2024
Dr. Marc
Figueras, TED project postdoc, 2023-2024
Referee
activity
Prof. Illas is regularly
refereeing papers for many journals as listed below, see also reviewer profile
at https://www.webofscience.com/wos/author/record/1274321
Angewandte Chemie
Accounts of Chemical Reseach
ACS Catalysis
ACS Nano
Catalysis Science & Technology
ChemCatChem
Chemical Communications
Chemical Physics
Chemical Physics Letters
ChemPhysChem
Chemical Reviews
Chemical Society Reviews
Chemical Science
Chemistry, A European journal
European Physics Letter
Inorganic Chemistry
Journal of the American Chemical Society
Journal of Catalysis
Journal of Chemical Physics (listed as one of the top 20 reviewers in
2011 and 2017, http://jcp.aip.org/top_20_reviewers_for_2011; https://aip.scitation.org/doi/10.1063/1.5043197)
Journal of Chemical Theory and Computation
Journal of Computational Chemistry
Journal of Materials Chemistry
Journal of. Molecular Catalysis
Journal of Physical Chemistry (A, B, C and Letters)
Nature Catalysis
Nature Communications
Nature Materials Reviews
Nanoscale
New Journal of Physics
Physical Review Letters (Outstanding Referee Certificate 2012 by
American Physical Society)
Physical Review B
Physical Chemistry Chemical Physics, recognised by the editors as an
Outstanding Reviewer in 2018.
Science
Small
Surface Science (Highly Valued Reviewer Certificate 2012)
He also acted and regularly acts as referee of
research proposals to the Spanish Ministry of Education, the Catalan Department
of Universities and Research, the Argentina Evaluation Research Agency, the
National Science Foundation and the Department of
Energy (USA), the European Research Council (ERC), the UK Engineering and
Physical Sciences Research Council (EPSRC) and the Danish Science Foundation.
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