Thomas Roussel is a materials scientist who holds a doctorate from Université de la Méditerranée. He has held research positions in Spain and the US, and is currently the founding director of Baobab Company in Barcelona. The document provides details of his education, positions, merits, publications, and areas of research expertise including molecular simulation of materials and gas adsorption in porous solids.
I have had extensive work experience as an accomplished researcher with over 7 years’ experience in the field of Photo Physics (Laser), Physical Chemistry and Material Science
My key areas of expertise include, but are not limited to the following;
A solid background in the development and controlling of complex improvised experimental setups for optical and industrial applications, with parallel electronic support and opto-electronic synchronization where needed. Indicatively, I mention the modified fluorescent microscope for the single molecule detection (UTexas, Austin) and the experimental technique of determining the parameters of water vapor transmission through the membranes operating in controlled temperature and humidity conditions (FORTH/ICE-HT).
Having a well-deserved reputation on non-conventional materials analysis methods (single molecule spectroscopy) gained in the lab of the UTexas equipped with advanced infrastructure, I think that gave me strong skills for managing and solving scientific and industrial problems under the pressure of a highly competitive environment. In addition, the research experience in a wide range of applications will provide a solid basis to address scientific problem analysis and investigation of divergences in the transfer of research knowledge to innovative material technologies and the development of sensors.
Possessing a convincing track record on the assertion (novel ideas and writing of proposals) and on the scientific support (experiments, results dissemination, presentations in review meetings and international conferences) of research projects.
I believe that my skills, experience, and reputation for excellence can greatly enhance the interest of relative companies. I have a proven track record of responsibility, integrity and commitment to companies objectives. I am comfortable working independently or as part of a team.
This E-nano Newsletter special double issue
contains the updated version of the nanoICT
position paper on Carbon Nanotubes (CNTs)
summarising state-of-the-art research in this field
as well as a description of the possible electrical,
electronic and photonic applications of carbon
nanotubes, the types of CNTs employed and the
organisations or groups that are most proficient
at fabricating them.
In the second paper, the Nanoelectronics
European Research Roadmap is addressed
focusing on the main European Programmes
supporting the short, medium and long-term
research activities.
This issue also contains a catalogue (insert),
compiled by the Phantoms Foundation
providing a general overview of the
Nanoscience and Nanotechnology
companies in Spain and in particular the
importance of this market research,
product development, etc.
We would like to thank all the authors
who contributed to this issue as well as
the European Commission for the
financial support (project nanoICT No.
216165).
Dr. Antonio Correia
Editor - Phantoms Foundation
www.phantomsnet.net
During the last decades a large effort has been invested in the development of a new
discipline devoted to benefit from optical excitations in materials where metals are
key element (Plasmonics). We will make an introduction on this topic below, but let’s
anticipate that two application areas are sensing and information technologies.
The following height extended abstracts, presented during the one-day NANOMAGMA
Symposium (Bilbao, Spain – April 13, 2011 reflects some of the latest developments on magneto-plasmonics.
In 2010 and 2011, the nanoICT project (EU/ICT/FET Coordination Action) launched
two calls for exchange visits for PhD students with the following main objectives: 1.
To perform joint work or to be trained in the leading European industrial and academic research institutions; 2. To enhance long-term collaborations within the ERA; 3. To
generate high-skilled personnel and to facilitate technology transfer;
The first outcome report was published in the issue 22 (August 2011) and this edition
contains four new articles providing insights in relevant fi elds for nanoICT.
We would like to thank all the authors who contributed to this issue as well as the European Commission for the financial support (projects nanoICT No. 216165 and NANOMAGMA No. FP7-214107-2).
Dr. Antonio Correia Editor - Phantoms Foundation
I have had extensive work experience as an accomplished researcher with over 7 years’ experience in the field of Photo Physics (Laser), Physical Chemistry and Material Science
My key areas of expertise include, but are not limited to the following;
A solid background in the development and controlling of complex improvised experimental setups for optical and industrial applications, with parallel electronic support and opto-electronic synchronization where needed. Indicatively, I mention the modified fluorescent microscope for the single molecule detection (UTexas, Austin) and the experimental technique of determining the parameters of water vapor transmission through the membranes operating in controlled temperature and humidity conditions (FORTH/ICE-HT).
Having a well-deserved reputation on non-conventional materials analysis methods (single molecule spectroscopy) gained in the lab of the UTexas equipped with advanced infrastructure, I think that gave me strong skills for managing and solving scientific and industrial problems under the pressure of a highly competitive environment. In addition, the research experience in a wide range of applications will provide a solid basis to address scientific problem analysis and investigation of divergences in the transfer of research knowledge to innovative material technologies and the development of sensors.
Possessing a convincing track record on the assertion (novel ideas and writing of proposals) and on the scientific support (experiments, results dissemination, presentations in review meetings and international conferences) of research projects.
I believe that my skills, experience, and reputation for excellence can greatly enhance the interest of relative companies. I have a proven track record of responsibility, integrity and commitment to companies objectives. I am comfortable working independently or as part of a team.
This E-nano Newsletter special double issue
contains the updated version of the nanoICT
position paper on Carbon Nanotubes (CNTs)
summarising state-of-the-art research in this field
as well as a description of the possible electrical,
electronic and photonic applications of carbon
nanotubes, the types of CNTs employed and the
organisations or groups that are most proficient
at fabricating them.
In the second paper, the Nanoelectronics
European Research Roadmap is addressed
focusing on the main European Programmes
supporting the short, medium and long-term
research activities.
This issue also contains a catalogue (insert),
compiled by the Phantoms Foundation
providing a general overview of the
Nanoscience and Nanotechnology
companies in Spain and in particular the
importance of this market research,
product development, etc.
We would like to thank all the authors
who contributed to this issue as well as
the European Commission for the
financial support (project nanoICT No.
216165).
Dr. Antonio Correia
Editor - Phantoms Foundation
www.phantomsnet.net
During the last decades a large effort has been invested in the development of a new
discipline devoted to benefit from optical excitations in materials where metals are
key element (Plasmonics). We will make an introduction on this topic below, but let’s
anticipate that two application areas are sensing and information technologies.
The following height extended abstracts, presented during the one-day NANOMAGMA
Symposium (Bilbao, Spain – April 13, 2011 reflects some of the latest developments on magneto-plasmonics.
In 2010 and 2011, the nanoICT project (EU/ICT/FET Coordination Action) launched
two calls for exchange visits for PhD students with the following main objectives: 1.
To perform joint work or to be trained in the leading European industrial and academic research institutions; 2. To enhance long-term collaborations within the ERA; 3. To
generate high-skilled personnel and to facilitate technology transfer;
The first outcome report was published in the issue 22 (August 2011) and this edition
contains four new articles providing insights in relevant fi elds for nanoICT.
We would like to thank all the authors who contributed to this issue as well as the European Commission for the financial support (projects nanoICT No. 216165 and NANOMAGMA No. FP7-214107-2).
Dr. Antonio Correia Editor - Phantoms Foundation
Design of a virtual laboratory for analyzing nanoscale magnetic materialsijma
As the advance of technology, the manufacturing process of materials has moved forward from the scale of
micrometer to sub-micrometer and nanometer. Combining nanotechnology and traditional magnetic
materials, nanoscale magnetic materials can be created for applications in biomedical examination and
therapy as well as data recording to increase the storage space of a computer. The topic of using the
magnetic force microscope (MFM) to exam a material’s magnetic field distribution can often be found in
nanotechnology courses. Due to the cost of equipment and difficulty of its operation, the teacher can only
teach students with an instructional video most of the time instead of using a real MFM to conduct
experiments. As a result, students may not fully understand its principle and operating procedure. In this
study, a virtual MFM laboratory was designed as an app for execution on tablet computers to increase
students’ learning interest and motivation. Without using expensive equipment, they can understand the
magnetic field distribution of materials by using the virtual MFM to examine different samples provided in
the virtual laboratory. A teaching experiment was also conducted to compare the learning effectiveness of
using an instructional video and the virtual MFM laboratory. The experimental results showed that using
the virtual MFM laboratory was more effective than using the instructional video; the questionnaire results
also revealed that most students had positive attitudes toward the virtual MFM laboratory and they thought
it could enhance their learning interest and motivation.
Apresentação do Instituto Nacional de Engenharia de Superfícies no evento de avaliação do Programa INCTs, realizado em Brasília nos dias 23 e 24 de novembro de 2010. Prof. Fernando Lázaro Freire Junior (coordenador do Instituto Nacional de Engenharia de Superfícies).
This second version of the report “Nanoscience & Nanotechnology in Spain” provides insights by identifying R&D directions and priorities in Spain. Moreover, it aims to be a valid source of guidance, not only for the scientific community but also for the industry.
This report covers a wide range of interdisciplinary areas of research and development, such as Graphene, Nanochemistry, Nanomedicine, Carbon
Nanotubes, Nanomaterials for Energy, Modelling, etc., and provides insights in these areas, currently very active worldwide and particularly in Spain. It
also provides an outlook of the entire Spanish nanotechnology system, including nearly 250 research institutions and over 50 companies.
Expected impact of initiative s suc h a s this document is to enhance visibility, ommunication and networking between specialists in several
fields, facilitate rapid information flow, look for
areas of common ground between different technologies and therefore shape and consolidate the Spanish and European research communities.
Design of a virtual laboratory for analyzing nanoscale magnetic materialsijma
As the advance of technology, the manufacturing process of materials has moved forward from the scale of
micrometer to sub-micrometer and nanometer. Combining nanotechnology and traditional magnetic
materials, nanoscale magnetic materials can be created for applications in biomedical examination and
therapy as well as data recording to increase the storage space of a computer. The topic of using the
magnetic force microscope (MFM) to exam a material’s magnetic field distribution can often be found in
nanotechnology courses. Due to the cost of equipment and difficulty of its operation, the teacher can only
teach students with an instructional video most of the time instead of using a real MFM to conduct
experiments. As a result, students may not fully understand its principle and operating procedure. In this
study, a virtual MFM laboratory was designed as an app for execution on tablet computers to increase
students’ learning interest and motivation. Without using expensive equipment, they can understand the
magnetic field distribution of materials by using the virtual MFM to examine different samples provided in
the virtual laboratory. A teaching experiment was also conducted to compare the learning effectiveness of
using an instructional video and the virtual MFM laboratory. The experimental results showed that using
the virtual MFM laboratory was more effective than using the instructional video; the questionnaire results
also revealed that most students had positive attitudes toward the virtual MFM laboratory and they thought
it could enhance their learning interest and motivation.
Apresentação do Instituto Nacional de Engenharia de Superfícies no evento de avaliação do Programa INCTs, realizado em Brasília nos dias 23 e 24 de novembro de 2010. Prof. Fernando Lázaro Freire Junior (coordenador do Instituto Nacional de Engenharia de Superfícies).
This second version of the report “Nanoscience & Nanotechnology in Spain” provides insights by identifying R&D directions and priorities in Spain. Moreover, it aims to be a valid source of guidance, not only for the scientific community but also for the industry.
This report covers a wide range of interdisciplinary areas of research and development, such as Graphene, Nanochemistry, Nanomedicine, Carbon
Nanotubes, Nanomaterials for Energy, Modelling, etc., and provides insights in these areas, currently very active worldwide and particularly in Spain. It
also provides an outlook of the entire Spanish nanotechnology system, including nearly 250 research institutions and over 50 companies.
Expected impact of initiative s suc h a s this document is to enhance visibility, ommunication and networking between specialists in several
fields, facilitate rapid information flow, look for
areas of common ground between different technologies and therefore shape and consolidate the Spanish and European research communities.
A pdf file about the topic in science, technology and society that talks about nano world. This informative material is a helped to students in understanding the importance of nanotechnology and its effects to human life. Nano technology refers to the science, engineering and technology conducted at the nanoscale. nanoscience and nano technology employs the study and application of small things in areas of science
This module is designed to provide an introduction into the basic physics of a special class of materials : functional oxides, in specific conducting oxides for example semiconductor, photocatalyst, superconductor, electrochromic, noncentrosymmetric, ionic conductor, magnetic and magnetoresistance oxides.
It will cover several essential topics on the crystal structure of the functional oxides and relating the structure to the intriguing properties that the oxides have. In this module, the synthesis, preparation and characterisation of several functional oxides (with properties stated above) will be elucidated. Part of the course will focus on the development of functional oxide in nanoscale.
Overviews on the current and possible future technological applications of the functional oxides and other issues relevant for applications will be explored and presented via several case studies that will be presented and discussed. The ultimate aim of this course is to evoke interest of participants in this fascinating class of materials and also to equip them with essential knowledge on the pressing fundamental challenges in the formation, synthesis and applications of electronic functional oxides.
Designed for students, R&D personnel, new recruits and young engineers, this course provides the fundamental knowledge towards proper understanding of basic principles of p-n junctions for semiconductor device applications. Postgraduate students embarking on research related to semiconductor devices will find the module content very useful. Participants will be guided through visualization sessions to properly understand the science behind electron/hole transport processes leading to various device conceptualizations.
Divided into four major sections in two days, this compact training program will address the various types of junction architectures involving diodes and transistors. The first part would involve understanding the basic p-n junction principles (Section 1) while an overview of rectifier diodes (Section 2) will be provided in the evening, concluding day 1. Day 2 will discuss various photonic devices (Section 3) and in the evening different types of transistors (Section 4), which includes Bipolar Junction Transistors (BJT) and Field Effect Transistors (FET) will be explored. Towards the end of the program, current and possible future technological applications of p-n junction architecture will be discussed. Participants will then undertake a group project activity to design p-n junction architectures as solutions to common global problems.
The course aims to evoke interest among the participants in the interesting world of semiconductor science and all its wonderful technological possibilities for the future.
Cyril Ruckebusch LASIR CNRS Université Lille Nord de France
Thomas-Roussel-CV_11_09_2015.en
1. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
1
THOMAS ROUSSEL
DOCTEUR ES. SCIENCES DES MATÉRIAUX
Theory and Simulation Dpt - ICMAB - Telephone : (+34) 631209822
ICMAB-CSIC Facsimile : (+34) 935929951
Campus de la UAB Internet : troussel@icmab.es
08193 Bellaterra – (SPAIN) hhtp://icmab.es/staff/detail/712
Date of Birth : May 07th
1978, French citizenship
2 daughters (born the 22/09//
09 and 26/08/14 Barcelona, Spain)
POSITION
Founding and Managing Director of Baobab Company – Barcelona
FORMER POSITIONS
– 10/2013 – 06/2015: Visiting Researcher at Institut of Material Sciences of Barcelona – Research Council
Agency of Spain (ICMAB-CSIC), Spain.
– 10/2010 – 09/2013: JAEDoc associate researcher at ICMAB-CSIC with Dr. Jordi Faraudo at the Institut of
Material Sciences of Barcelona – Research Council Agency of Spain (ICMAB-CSIC), Spain. – (visiting
researcher since the 01/10/13).
– 02/2009 – 08/2010: Postdoctorate, with Dr. Lourdes Vega at MATGAS (2000 AIE), Barcelona, Spain.
– 09/2007 – 12/2008: Postdoctorate with Prof. Keith Gubbins at the CBE (NCSU): Dept. Chemical &
Biomolecular Engineering, North Carolina State University, USA.
– 10/2003 – 07/2007: Moniteur/Doctorant with Dr. Roland Pellenq and Dr. Christophe Bichara at CINAM :
Centre InterDisciplinaire de Nanosciences de Marseille, Département de Physique de la faculté des Sciences de
Luminy, Université de la Méditerranée - Aix-Marseille II, France.
MERITS
– JAE-Doc : three-years project co-funded by the Spanish government (CSIC) and the European Social Funds
(FSE). Projet title: Self-Assembly of organic molecules onto surfaces by simulation tools and thermodynamics
approach (2010-2013).
– One-year contract from the Spanish National Program Ingenio 2010: Consolider NANOSELECT.
Project title: Large scale modeling of nano-objets on surfaces. (05/2009)
– One year grant at North Carolina State University (NSF)
Project title: Thermodynamics and Diffusion properties of confined de fluids. (09/2007)
– Thesis Award of Sciences of the Université de la Méditerranée – Aix-Marseille II (27/11/2008).
– Teaching qualification from the French CNU – section 28 (2008) and (2012).
– Three years PhD (MNRT) and Teaching Assistant Fellowship from the French Ministry of Research and
Education – Faculté des Sciences de Luminy, Université de la Méditerranée – Aix-Marseille II (2003-2006)
– Meritus Master degree grant (DEA Sciences des Matériaux) Department of Physics – Faculté des Sciences de
Luminy, Université de la Méditerranée – Aix-Marseille II (2002-2003).
EDUCATION
– 2003–2007 : DOCTORATE OF MATERIAL SCIENCES (High Honors) (Faculté des Sciences de Luminy, Université
de la Méditerranée Aix-Marseille II)
Thesis Defense (14-05-2007) au Centre de Recherche en Matière Condensée et Nanosciences - CRMCN
2. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
2
Title: Numerical Simulation of Zeolite Templated Carbon: Structural and Adsorption Properties for Hydrogen
Storage Application
Thesis Co-supervisors: Dr. Christophe Bichara and Dr. Roland Pellenq
– 2003–2006 : Continuous Courses for Teaching Assistants (C.I.E.S. de Provence - Côte d’Azur-Corse).
– 2002–2003 : MASTER DEGREE OF MATERIALS SCIENCE: Surfaces – Interfaces : (Honors). (Faculté des
Sciences de Luminy, Université de la Méditerranée Aix-Marseille II).
TEACHING DUTIES
– Teaching Assistant (Université de la Méditerranée (2003-2006)) :
(Courses for Teaching Assistants in the frame of the “Centre d'Initiation à l'Enseignement Supérieur
(C.I.E.S de Provence - Côte d’Azur-Corse)
Enseignements en 1ers
cycle de la faculté des sciences de l’Université (96 heures équivalentes TP/an):
• 2003-2004 : Workshop and Tutorials – Electrokinetics and Optics DEUG SM, SV.
• 2004-2005 : Workshop (DEUG L2 Physics) and Tutorials (L1 Maths-Info.) Electrokinetics.
• 2005-2006 : Workshop of Electrokinetics and Computational Methods applied to Physics (L3).
– Responsibilities at the Université de la Méditerranée (2003-2007) :
– TA representative (Faculté des Sciences de Luminy (2004-2006)).
– Student representative for International Students Welcoming (Faculté des Sciences de Luminy,
Université de la Méditerranée) (rentrée 2006-2007).
LANGUAGES & COMPUTATIONAL SKILLS
– Languages: French, English, Spanish, and Catalan. German (7 years scholar level). Initiated to Chinese.
– Operating Systems: Unix (Linux), Mac OS X, Windows.
– General Molecular Simulation Software : GULP, NAMD, LAMMPS, Material Studio
– Programming: Fortran, C, C++, Javascript, J++, Matlab, Xmaple
EXPERIMENTS
– Adsorption isotherms of Hydrogen and Argon at low temperature to characterize carbon replicas of mesoporous
siliceous materials (MOC): SBA-15 and MCM-48. (Collaboration: Prof. Michel Bienfait, National program
ACI-HydroCar).
– Diffraction of neutron during the adsorption of Deuterium at very low temperature of the aforementioned
MOC (SBA-15 and MCM-48). D1B-CRG Beam line, ILL, Grenoble, France (Project coordinator: Prof. Michel
Bienfait ; local contact: Marc Johnson). see Roussel, T.; et al; Langmuir (2006), 22, 4614-4619.
– Diffraction of neutron during the adsorption of Deuterium at very low temperature in bundle of doped carbon
nanotubes, D1B-CRG Beam line, ILL, Grenoble, France (Project coordinator: Prof. Laurent Duclaux ; local
contact: Olivier Isnard).
OTHER FORMATIONS
– CCP5 and Marie Curie Actions ; "Methods in Molecular Simulation Summer School" ; University of Cardiff,
Wales - (9-17 juillet 2004)
– Summer-school GDR-DFT at Lyon - (4-8 Octobre 2004)
– Summer-School on Carbon nanotubes : From basic Research to Nanotechnology, Sozopol, Bulgarie - (21-31
Mai 2004)
– Accelrys Workshop: Introduction to the Materials Studio Tools Forcite, Sorption, GULP, DMol3, DPD and
ONETEP, (3/09/2009).
PARTICIPATION TO REVIEWING COMMITEE
3. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
3
– Reviewer: Phys.Chem.Chem.Phys., AicheJournal, Chem.Comm., J. Mat. Chem., Cryst. Eng.Comm., J.of.CO2,
Chirality Journal.
– Evaluation Committee for the “Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT) de
Argentina” - 2014
ORGANISATION OF CONFERENCES
– 4-6/02/2004: GDR-DFT 2004 at the Agelonde Center - La Londe Les Maures (Var), with the TSN department
of CRMC-N (Centre de recherché en matière condense et nanosciences).
– 29/092004: ‘’Journée des Simulateurs et Théoriciens Marseillais’’.coordinator and webmaster.
– 3-6/04/2006: Organisation of the ‘’Journées annuelles du Groupement Français d’Etude du Carbone’’ GFEC
(http://www/confs/gfec2006)
SUPERVISING TASKS
– Siwei Luo (Tsinghua University, China). Internship at NCSU, 09 to 08 of 2008
– Jeremy Palmer (PhD, NCSU, USA) – 2007-2008
– Joshua D. Moore (PhD, NCSU, USA) – 2007-2008
– Santiago Builes (PhD, Matgas, Spain) – 2009-2011
– Sylvia Tuset –Master degree of Chemical Engineering – IQS, Barcelona, Spain (September to December 2014)
SOFTWARE DEVELOPMENT
– SANO: Self-Assembly of Nano-Objects
– GCMC-ZTC: Grand Canonical Monte Carlo for Zeolite Templated Carbon
SCIENTIFIC PRODUCTION
– h-index : 10, Citations : 244
– 20 articles peer-reviewed (+2 under manuscript) / total de 28 documents
– 16 first author or corresponding author
– 14 first quartile
– 51 oral presentations national and international congresses (+16 posters).
– 9 invited talks, 12 invited seminars in National Research Centers
PEER REVIEWED PUBLICATIONS
[Quartil. IF:Impact Factor. Cites]
1. T. Roussel, C. Bichara and R. J.-M. Pellenq, “Adsorption of selenium and carbon in zeolites: A Tight-
Binding GCMC Study”, Adsorption, 11, 709-714 (2005). [Q2.IF :1.7. cites:5]
2. T. Roussel, J. Jagiello, R. J.-M. Pellenq, M. Thommes and C. Bichara, “Testing the feasibility of using the
Density Functional Theory route for pore size distribution calculations of ordered microporous carbons”,
Molecular Simulation, 32, 7, 551-555 (2006). [Q4.IF :1.1. cites:9]
3. T. Roussel, C. Bichara and R. J.-M. Pellenq, “A Grand Canonical Monte Carlo simulation study of carbon
structural and adsorption properties of in-zeolite templated carbon nanostructures’’, Carbon Nanotubes,
NATO Science Series: II Mathematics, Physics and Chemistry (Kluwer Acad. Publ.), 67 (2006).
ISBN:1-4020-4572-7
4. T. Roussel, R. J.-M. Pellenq, M. Bienfait, C. Vix-Guterl, R. Gadiou, F. Beguin and M. Johnson, “A
thermodynamic and neutron scattering study of hydrogen adsorption in two mesoporous ordered carbons”,
Langmuir, 22, 4614-4619 (2006). [Q1.IF:4.38. cites:26]
5. T. Roussel, C. Mottet and C. Bichara, “Local order in undercooled liquid metals : a tight binding molecular
dynamics approach”, 12th International Conference on Liquid and Amorphous Metals (LAM12), Metz
France, Journal of Non-Crystalline Solids, 353 (32-40): 3679-3683 (2007). [Q1.IF:1.7. cites:2]
6. T. Roussel, R. J.-M. Pellenq and C. Bichara, “Structure of narrow diameter single wall carbon nanotubes
grown in AlPO4-5”, Phys. Rev. B, 76, 235418 (2007). [Q1.IF:3.78. cites:9]
4. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
4
7. T. Roussel, A. Didion, R. J.-M. Pellenq, R. Gadiou, C. Bichara, and C. Vix-Guterl, “An experimental and
atomistic simulation study of the structural and adsorption properties of Faujasite zeolite-templated
nanostructured carbon materials”, J. Phys. Chem. C, 111, 43, 15863-15876 (2007).[Q1.IF :4.83. cites:29]
8. R. J.-M. Pellenq, T. Roussel and J.Puibasset, “Molecular simulations of water in hydrophobic microporous
solids”, Adsorption, 14, 4-5, 733-742, (2008). [Q2.IF :1.7. cites:18]
9. T. Roussel, C. Bichara, K.E. Gubbins and R. J.-M. Pellenq, “Hydrogen storage enhanced in Li-doped
carbon replica of zeolites: A possible route to achieve fuel cell demand” - Journal of Chemical Physics,
130, 17, 174717, (2009). [Q1.IF :3.14. cites:24]
10. Y.-C. Liu, Q. Chen, J.D. Moore, T.J. Roussel, Q. Wang, and K.E. Gubbins, “Crossover from Single-File to
Fickian Diffusion in Carbon Nanotubes and Nanotube Bundles: Pure Components and Mixtures”, Diffusion
Fundamentals III - Leipziger Universitätsverlag, 11, 164-182, (2009) (online open access)
11. T. Roussel, C. Bichara, R. J.-M. Pellenq and K.E. Gubbins, “H2 Adsorption in Pristine and Li-Doped
Carbon Replicas of FAU and EMT Zeolites”, Characterisation of Porous Solids VIII, Book Series: Royal
Society of Chemistry Special Publications, 318, 32-39, (2009) ISBN:978-1-84755-904-3
12. JD. Moore, JC. Palmer, Y-C. Liu, T. Roussel, J.K. Brennan, K.E.Gubbins, “Diffusion in Ordered and
Disordered Microporous Carbons”, 7th International Symposium on Effects of Surface Heterogeneity in
Adsorption and Catalysis on Solids, 2009, Kazimierz Dolny Poland, Applied Surface Science, 256, 17,
5131-5136 (2010). [Q1. IF 2.5. cites : 27]
13. Y-C. Liu, J.D. Moore, TJ. Roussel, and Keith E. Gubbins, “Dual diffusion mechanism of argon confined in
single-walled carbon nanotube bundles”, Phys.Chem. Chem. Phys., 12, 25, 6632-6640 (2010) [Q1.IF :4.2.
cites:16]
14. Q. Chen, J.D. Moore, Y.-C. Liu, T. Roussel, Q. Wang, Wu T. and Keith E. Gubbins, “Transition from
single-file to Fickian diffusion for binary mixtures in single-walled carbon nanotubes”, Journal of
Chemical Physics, 133, 9, 094501, (2010) [Q1.IF :3.14. cites:11]
15. S. Builes, T. Roussel, L.F. Vega, “Optimization of the Separation of Sulfur Hexafluoride and Nitrogen by
Selective Adsorption Using Monte Carlo Simulations”, AIChE J., 57, 962–974, (2011) [Q1.IF :2.58.
cites:12]
16. J.C. Palmer, J.D. Moore, T.J. Roussel, J.K. Brennan and K.E. Gubbins, “Adsorptive behavior of CO2, CH4
and their mixtures in carbon nanospace”, Phys. Chem. Chem. Phys., 13, 9, 3985-3996, (2011) [Q1.IF :4.2.
cites:21]
17. S. Builes, T. Roussel*, J. Parmentier, C. Ghimbeu, R. Gadiou, C. Vix-Guterl, L.F. Vega, “Microporous
carbon adsorbents with high CO2 capacities for industrial applications”, Phys. Chem. Chem. Phys., 13 (35)
16063-16070, (2011) [Q1.IF :4.2. cites:25]
18. J. Saiz-Poseu, A. Martínez-Otero, T. Roussel, J. K.-H. Hui, M.L. Montero, R. Urcuyo, M.J. MacLachlan, J.
Faraudo and D. Ruiz-Molina, “Self-assembly of a catechol-based macrocycle at the liquid-solid interface:
experiments and molecular dynamics simulations”, Phys. Chem. Chem. Phys., 14, 34, 11937-11943,
(2012) [Q1.IF :4.2. cites:7]
19. T. Roussel and L.F. Vega, “Modeling the Self-Assembly of Nano-Objects: Applications to supramolecular
organic monolayers adsorbed on metal surfaces”, J. Chem. Theory Comput., 9, 2161−2169 (2013)
[Q1.IF :5.3. cites:5]
20. T. Roussel, E. Barrena, C. Ocal and J. Faraudo, “Predicting supramolecular self-assembly on reconstructed
metal surfaces”, Nanoscale, 6, 7991−8001 (2014). [Q1.IF :6.7. cites 1]
21. T. Roussel, T. Leoni, T. Lelaidier, A. Ranguis, O. Siri, C. Becker and J. Faraudo. “Dipole-Dipole versus
Surface Roughness: a Competitive Self-assembly of Organic Molecules on a Reconstructed Surface.'',
under manuscript.
22. B. Calmette, T. Roussel, J. Faraudo, and R. Coratger. “Substrate Mediated Molecular Self-Assembly of
TAB molecules on Silver (111) surface.“ under manuscript.
5. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
5
OTHER SCIENTIFC PRODUCTION
1. Rapport Final de l’Action Concertée Energie – (2003-2006) Juillet 2006 - Project PR1-2-‘’HYDROCAR’’ ;
Coordinateur: François Béguin (http://energie.cnrs.fr/rapport_AC_2003-2006/PR1-2.pdf) ‘’Stockage de
l'hydrogène dans des matériaux carbonés nanostructurés de porosité contrôlée’’
2. T. Roussel, C. Bichara, R. J-M. Pellenq, “An Atomistic Simulation Study of Carbon Nanostructure Growth
in the Porosity of Different Zeolites”, 2005 NSTI Nanotechnology Conference and Trade Show - NSTI
Nanotech 2005 Technical Proceedings , pp. 660-663, (2005)
3. T. Roussel, C. Bichara, R. J-M. Pellenq, “A grand canonical Monte-Carlo simulation of the textural,
mechanical and adsorption properties of faujasite zeolite carbon replica”, 2006 NSTI Nanotechnology
Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings 1 , pp. 158-161, (2006)
4. L. Duclaux, S. Los, M. Lettellier, P. Azaïs, R. Pellenq, T. Roussel, X. Fuhr. “Hydrogen adsorption in
microporous alkali-doped carbons (single-wall carbon nanotubes and activated carbons)“, WHEC 2006,
16th World Hydrogen Energy Conference, 4, 3080-3085, (2006).
5. T. Roussel and LF.Vega, “A State of The Art on CO2 Capture”, Internal Repport for MATGAS 2000 AIE
research center, (70 pages, 323 references), (2009)
6. T. Roussel, L.F. Vega, “The Self-Assembly of Nano-Objects code (SANO-Grid) using Grid Interpolation
technique: Application to epitaxial organic monolayers adsorbed on metal surfaces”, Technical Proceedings
of the 2011 NSTI Nanotechnology Conference, NSTI-Nanotech, 2011, 2, pp.579-582, (2011)
ORAL COMMUNICATIONS
INVITED CONFERENCES:
i-1: Roland Pellenq; Thermodynamics of Confined Fluids in Porous Carbons. Ice Soot and Aviation, what Impact
on Environment, La-Londe-Les-Maures, France, (2004).
i-2: Roland Pellenq; Atomistic simulations of carbon materials and their adsorption propertie : from porous
carbons to zeolite-templated-carbon nanostructures. Corean-French Workshop, Daejeon, South-Corea,
(2005).
i-3: Roland Pellenq; Adsorption de H2 (Monte Carlo / dynamique moléculaire), Xe Journées Thématiques de
Chimie Théorique (2008) Adsorption de petites molécules – Stockage Centre Régional de Compétences en
Modélisation Moléculaire, Université Paul Cézanne, Marseille, France (2008).
i-4: Roland Pellenq; Plenary lecture Carbon09 conference, “Atomistic modeling of ordered and disordered
microporous carbons and their electronic, mechanical and adsorption properties" Biarritz, France (2009).
i-5: Roland Pellenq; Invited plenary lecture, Perspective in atomistic simulation of porous carbons and their
properties, Carbon2010 conference, Clemson US (2010).
i-6: Roland Pellenq; Nanoscale Simulations for Energy Storage Related Engineering Problems: the Case Study of
Nanoporous Carbons under the Nanoscope, Nanomeeting, 2011, Minsk, Belarus (2011).
i-7: T. Roussel and L.F. Vega, “Large-Scale Monte-Carlo Modeling of Organic Monolayer Self-Assembled on
Surfaces”. Invited talk at the workshop on “Advanced Functional nanocomposites by cooperative self-
assembly (NANOITSELF)”, Institute for Advanced Chemistry of Catalonia (IQAC), CSIC Barcelona, Spain.
(2011)
i-8: T. Roussel, “Predicting the competitive and cooperative molecular self-assembly on surfaces”. International
workshop on Statistical Physics and Low Dimensional Systems (SPLDS), Abbaye des Prémontrés, Pont-à-
Mousson (Université Jean Lamour, Nancy), 22/05 (2014)
i-9 T. Roussel, (invited talk) “Predicting supramolecular self-assembly on reconstructed metal surfaces”, Annual
meeting of the National research CONSOLIDER Nanoselect, Sant Feliu de Guíxols, Spain, (2014)
6. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
6
INTERNATIONAL AND NATIONAL CONFERENCES AND SEMINARS:
O1: T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’A Grand Canonical Monte Carlo Simulation Study of Carbon
Nanostructures in Nanoporous Materials’’, Methods in Molecular Simulation Summer School - CCP5;
University of Cardiff, Wales, (2004).
O2: T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’From synthesis to applications of nanostructured carbon and
related materials’’. 6th
International Conference on Nanotechnology in Carbon: (www.cnrs-
imn.fr/Nanotec04) Batz-sur-Mer, (2004).
O3: T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’A Grand Canonical Monte-Carlo Study of the Structural and
Adsorption Properties of Zeolite-Templated Carbon Nanostructures’’, Conférence annuelle du Groupe
Français d’Etude des Carbones (GFEC), Saint Agnan, (2005).
O4: T. Roussel, C. Bichara, R. J.-M. Pellenq, ‘’An Atomistic Simulation Study of Carbon Nanostructure
Growth in the Porosity of Different Zeolites’’, Nanotech 2005, Los Angeles, (2005).
O5: T. Roussel, C. Bichara, R. J.-M. Pellenq, ‘’A Grand Canonical Monte Carlo simulation study of carbon
structural and adsorption properties of in-zeolite templated carbon nanostructures’’ ; Carbon Nanotubes
Summer School: from basic Research to Nanotechnology, Sozopol, Bulgarie, (2005).
O6: T. Roussel, C. Bichara and R.J.-M. Pellenq, ‘’Incorporation du carbone sous forme vapeur dans les
microporosités de zéolithes’’, Journées de simulation numérique - JSNUM (2005).
O7: T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’A Grand Canonical Monte-Carlo Study of the Structural and
Adsorption Properties of Zeolite-Templated Carbon Nanostructures’’. 13th
International Symposium on
Intercalation compounds, Clermont-Ferrand, (2005).
O8: T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’A Grand Canonical Monte-Carlo Study of the Structural and
Thermodynamic Properties of the Smallest Single Wall Carbon Nanotubes Templated from AlPO4-5’’,
Carbon-2005, Jongju, Corée du Sud, (2005).
O9: T. Roussel, R.J-M. Pellenq, C. Bichara, R. Gadiou, A. Didion, C.Vix-Guterl, ‘’A Grand Canonical Monte-
Carlo Simulation Study of Zeolite-Templated Carbon Replica’’, Carbon-2005, Jongju, Corée du Sud,
(2005).
O10: R. Gadiou, A. Didion, T. Roussel, M. Friebe, C. Vix-GuterL, R. J-M. Pellenq, C. Bichara, K Jurewicz, E.
Frackowiak, F. Beguin, ‘’Experimental and Theoretical Study of Hydrogen Storage in Carbon Replica of
Inorganic Porous Materials’’, Carbon-2005, Jongju, Corée du Sud, (2005).
O11: T. Roussel, R. J.-M. Pellenq, C. Bichara, R. Gadiou, A. Didion, C. Vix-Guterl, F. Gaslain, J. Parmentier, V.
Valtchev, J. Patarin, ‘’Zeolite-Templated Carbon Replica: A Grand Canonical Monte-Carlo Simulation
Study’’, Carbon for Energy Storage and Environmental Protection, Orléans, France, (2005).
O12: R. Gadiou, A. Didion , C. Vix-Guterl, R. J.-M. Pellenq, T. Roussel, C. Bichara, ‘’Experimental and
theoretical study of H2 storage on nanostructured carbon materials’’, E-MRS, Strasbourg, (2005).
O13: T. Roussel, R. J-M. Pellenq, C. Bichara, ‘’Le concept de distribution de tailles de pores dans les carbones,
DFT versus Monte-Carlo’’, Conférence annuelle du Groupe Français d’Etude des Carbones (GFEC), Giens,
(2006).
O14: T. Roussel, J.Jagiello, R. J.-M. Pellenq, M. Thommes, C. Bichara, ‘’The concept of pore size distribution in
porous carbons : testing the performance of the Density Functional Theory route on zeolite replica porous
carbons’’, Carbon-2006, Aberdeen, UK, (2006).
O15: R. J.-M. Pellenq, J. Fuhr, S. Jain, T. Roussel, C. Bichara, K. E. Gubbins, ‘’An atomistic simulation study of
the texture and adsorption properties of disordered porous carbons and ordered zeolite-grown carbon
nanostructures’’, At the Frontier of Condensed Matter III, Buenos Aires, (2006).
O16 : T. Roussel, C. Bichara, R. J-M. Pellenq, ‘’A grand canonical Monte-Carlo simulation of the textural,
mechanical and adsorption properties of faujasite zeolite carbon replica‘’, Nanotech 2006, (2006)
7. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
7
O17: T. Roussel, R.J.-M. Pellenq and C. Bichara; ‘’H2 Adsorption in Pristine and Li-Doped Carbon Replicas of
Zeolites’’, MRS – International Materials Research Conference Boston, US : Symposium S: Materials and
Technology for Hydrogen Storage, (2007).
O18: T. Roussel, J. Jagiello, R. J.-M. Pellenq, C. Bichara, Ordered Porous Carbons From Zeolites : ‘’Testing the
performance of the density Functional Theory for PSD Determination‘’. FOA9 : 9th
International
Conference on Fundamentals of Adsorption, Giardini-Naxos - Sicile, Italie. 20-25 Mai (2007).
O19: T. Roussel, C. Bichara, R.J-M. Pellenq, K. Gubbins, ‘’Simulation Numérique de Répliques de zéolithes en
Carbone : Structures et Applications au Stockage d’hydrogene’’, JSNUM-2008, IFP, Paris, (2008).
O20: T. Roussel, C. Bichara, R.J-M. Pellenq, K. Gubbins, ‘’H2 Adsorption in pristine and Li-doped carbon
replicas of FAU and EMT zeolites’’ 8th
International Symposium on the Characterization of Porous Solids
(COPS VIII), Edinburgh, UK, (2008).
O21: Y.-C. Liu, J.D. Moore, T. Roussel, Q. Chen, Q. Wang, K.E. Gubbins, ‘’Crossover from Fickian to Single-
File Diffusion of Fluids Confined in Carbon Nanotubes’’, AICHE 100, annual meeting, Philadelphia,
(2008)
O22: J.D. Moore, Q. Chen, T. Roussel, Y.-C. Liu, Q. Wang, K.E. Gubbins, ‘’Crossover from Fickian to Single-
File Diffusion For Binary Mixtures in Single-Walled Carbon Nanotubes’’, AICHE 100, annual meeting,
Philadelphia, (2008)
O23: T. Roussel, J.C. Palmer, C. Bichara, R.JM. Pellenq, K.E. Gubbins, ‘’A Monte Carlo Study of Molecular
Selectivity of Binary Mixtures In Ordered and Disordered Nicroporous Carbon’’, AICHE 100, annual
meeting, Philadelphia, (2008)
O24: T. Roussel, CO2 Seminar series of MATGAS, “How can we Control the Porosity of Carbon Materials? -
Application to Hydrogen Storage – “, (21-01-2009), MATGAS, Bellaterra, Spain.
O25: T. Roussel and L.F. Vega, “Understanding the self-assembly of organic molecules onto surfaces by
simulation tools”, Jornada Interconsolider I-Math + Nanoselect, Centre de Recerca Matematica (CRM),
UAB, Barcelona (2009)
O26: Y-C. Liu, J.D. Moore , Q. Chen, T.J. Roussel, Q. Wang, and K. E. Gubbins, , “Crossover from Single-File
to Fickian Diffusion in Carbon Nanotubes and Nanotube Bundles: Pure Components and Mixtures“,
Diffusion Fundamentals III, Leipziger Universitätsverlag, Athens, Greece, (2009)
O27: Qu Chen, Joshua D. Moore, Ying-Chun Liu, Thomas Roussel, Qi Wang, Keith E. Gubbins, ‘’Bimodal
Diffusion of Binary Lennard Jones Mixtures in Atomically Detailed Single-Walled Carbon
Nanotubes’’, Diffusion Fundamentals III, Leipziger Universitätsverlag, Athens, Greece, (2009)
O28: Ying-Chun Liu, Thomas J. Roussel, Joshua D. Moore, Qi Wang, Keith E. Gubbins, ‘’Dual-Mode Diffusion
of Argon Confined in Carbon Nanotube Bundles’’, Diffusion Fundamentals III, Leipziger
Universitätsverlag, Athens, Greece, (2009)
O29: Joshua D. Moore, Jeremy C. Palmer, Ying-Chun Liu, Thomas J. Roussel, John K. Brennan, Keith E.
Gubbins, Slow and Fast (Fickian) Diffusion Modes for Argon Confined in BPL Activated Carbon Diffusion
Fundamentals III, Leipziger Universitätsverlag, Athens, Greece, (2009)
O30: T. Roussel and L.F. Vega, “Understanding the self-assembly of organic molecules onto Metal surfaces”,
FisEs'2009 , Grupo de Fisica de Liquidos Complejos, Huelva, Spain, (2009)
O31: Joshua D. Moore, Ying-Chun Liu, Thomas J. Roussel, Jeremy C. Palmer and Keith E. ‘’Diffusion
Mechanisms of Fluids Confined in Carbon Nanotubes, Carbon Nanotube Bundles and Hierarchial Carbons:
Single-File, Fickian and Dual-Mode Diffusion’’, American Institute of Chemical Engineers Annual
Meeting – AICHE, Nashville, USA, (2009)
O32: T. Roussel, “Propriétés de stockage d’énergie et de capture de gaz à effet de serre des répliques en carbone
de zéolithes par une approche Monte-Carlo”, invited Seminar at Laboratoire des Colloïdes, Verres et
Nanomatériaux, Montpellier, France (2010)
8. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
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O33: T. Roussel and L.F. Vega, “2D Grand Canonical Monte-Carlo for Self- Assembly of Nano-Objects (2D-
GCMC-SANO)”, JSNUM-2010, INSP - Jussieu, Universite Pierre & Marie-Curie, Paris, France (2010)
O34: T. Roussel and L.F. Vega, “Atomistic Self-Assembly of Nano-Objects on Large Scale”, Reunió Anual de la
Xarxa de Referencia de Química Teòrica i Computacional, UAB, Barcelona, Spain, (2010)
O35: Santiago Builes, Thomas Roussel, Camélia Ghimbeu, Julien Parmentier, Roger Gadiou, Cathie Vix-Guterl,
Lourdes F. Vega, “Adsorption of CO2 using Zeolite Templated Carbon”, Computational Carbon Capture,
CECAM-HQ-EPFL, Lausanne, Switzerland, (2010)
O36: T. Roussel and L.F. Vega, “A new transferable code to study 2D Self-Assembly of Nano-Objects: SANO-
GRID”, Annual meeting of the National research CONSOLIDER Nanoselect, Sant Feliu de Guíxols, Spain,
(2010)
O37: T. Roussel and L.F. Vega, “Large scale modeling of organic molecular beam epitaxy”, EMRS-2011, Nice,
France, (2011)
O38: T. Roussel and L.F. Vega, “Large-Scale Monte-Carlo Modeling of Organic Monolayer Self-Assembled on
Surfaces”. Invited talk at the workshop on “Advanced Functional nanocomposites by cooperative self-
assembly (NANOITSELF)”, Institute for Advanced Chemistry of Catalonia (IQAC), CSIC Barcelona,
Spain. (2011)
O39: T. Roussel and L.F. Vega, “The Self-Assembly of Nano-Objects code (SANO-Grid) using Grid
Interpolation technique: Application to epitaxial organic monolayers adsorbed on metal surfaces“, Nanotech
2011, Boston, USA
O40: T. Roussel, “Molecular Simulation of the Self-Assembly of Nano-Objects”, invited Seminar at the IM2NP
Institut Matériaux Microélectronique Nanoscience de Provence, Marseille, France. (26/06/2012).
O41: J. Saiz-Poseu, A. Martínez-Otero, T. Roussel, J. K.-H. Hui, M.L. Montero, R. Urcuyo, M.J. MacLachlan, J.
Faraudo and D. Ruiz-Molina, “Solvent-induced effects on the Self-assembly of a catechol Shiff-base
Macrocyle on Au(111)”, ICPOC21 – 21st
IUPAC International Conference on Physical Organic Chemistry,
RSC, Durham University, UK, (9-13/09/2012).
O42: T. Roussel, “Simulations de l’Auto-Organisation Moléculaire de Monocouches Organiques Supportées”,
Invited Seminar at the CINaM, Centre Interdisciplinaire de Nanoscience de Marseille, Marseille, France.
(11/10/2012).
O43: T. Roussel, “Simulations Monte-Carlo de l’Auto-Organisation de Monocouches Organiques Supportées”,
Invited Seminar at CEMES, Centre d’Elaboration de Matériaux et d’Etudes Structurales, Toulouse, France.
(26/11/2012).
O44: T. Roussel, “Simulations de l’Adsorption de Molécules: Des Surfaces aux Systèmes Poreux.”, Invited
Seminar at CRMD, Centre de Recherche de la Matière Divisée, Orléans, France. (13/12/2012).
O45: T. Roussel, “Large scale Monte-Carlo Simulations of Self-Ordered Organic Monolayer on Metal Surfaces”,
Invited Seminar at Laboratoire de Chimie ENS de Lyon (15/03/2013).
O46: T. Roussel, “Large-scale Modeling of Supramolecular Self-Assembly on Reconstructed Gold Surfaces”,
Invited Seminar at the Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS) (03/12/2013).
O47: T. Roussel, “Modélisations depuis l’échelle atomique de l’élaboration de nouvelles structures auto-
assemblées et dirigées, à partir d’objets de taille nanométrique”, Invited Seminar at CEMES, Centre
d’Elaboration de Matériaux et d’Etudes Structurales, Toulouse, France. (26/01/2014).
O48: T. Roussel, “Simulations Monte Carlo de l’Auto-organisation de Monocouches Organiques Supportées”,
dans le cadre d’un Atelier du groupement de recherche ModMat (GDR 3532) sur les “Modélisation des
interactions intermoléculaires et molécule/surface", at the Institut de Physique et Chimie des Matériaux de
Strasbourg (IPCMS) (04/02/2014).
O49: T. Roussel, “Auto-organisation coopérative ou compétitive de monocouches organiques”, Invited Seminar
at Laboratoire de Physique Statistique (LPS), Département de Physique de l’École Normale Supérieure de
Paris (12/02/2014).
9. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
9
O50: T. Roussel, “Predicting the competitive and cooperative molecular self-assembly on surfaces”. Invited
Seminar at l’ICMAB, Institut de Ciencia de Materiales de Barcelona, 28/06 (2014)
O51: T. Roussel, (invited talk) “Predicting supramolecular self-assembly on reconstructed metal surfaces”,
Annual meeting of the National research CONSOLIDER Nanoselect, Sant Feliu de Guíxols, Spain, (2014)
O52: T. Roussel, (invited seminar) “Predicting the Self-Assembly of Nano-Objects”, CRPP – Centre de
Recherche Paul Pascal. 23 avril (2015)
* Contribution Orale donnée si soulignée
PRESENTATIONS POSTERS :
P1: T. Roussel, C. Bichara, R. J.-M. Pellenq, Fundamental of adsorption, ‘’Selenium and carbon adsorption in the
porosity of AlPO4-5’’, Sedona, US, (2004).
P2: T. Roussel, C. Bichara and RJM Pellenq, ‘’Adsorption of Selenium and Carbon in zeolites: A Tight-Binding
Grand Canonical Monte-Carlo Study’’, 8th International Conference on Fundamentals of Adsorption. (2005).
P3: T. Roussel, R.J.-M. Pellenq, C.Bichara, ‘’Etude par simulations Monte-Carlo de nano-structures de carbone
Synthétisées dans la porosité de la zéolithe EMT’’, Réunion annuelle du Groupement Français des
Zéolithes (GFZ), (2005).
P4: T. Roussel, R.J.-M. Pellenq, C.Bichara, ‘’Etude de nanostructures microporeuses carbonées à porosité
contrôlée par réplique de zéolithes : application au stockage d’hydrogène’’, Réunion annuelle du Groupement
Français d’étude du Carbone - GFEC - (2006)
P5: L. Duclaux, S.Los Szymon, M. Letellier, T. Roussel, J. Fuhr, R. J.-M. Pellenq, ‘’Hydrogen adsorption in
microporous alkali-doped carbons - single-Wall carbon nanotubes and activated carbons’’, World Hydrogen
Energy Conference, Lyon, (2006).
P6: C. Bichara, T. Roussel, RJ.M. Pellenq ,‘‘In AlPO4-5 grown Single Wall Nanotubes are defective’’, Atomic
Structure of Carbon Nanotubes - NT06 – 7th
International Conference on the Sciences and Application of
Nanotubes, Nagano, Japan (2006).
P7: R. Gadiou, A. Didion, T. Roussel, M. Friebe, C. Vix-GuterL R. J-M. Pellenq, C. Bichara, F. Beguin,
‘’Experience et simulation du stockage de H2 dans des répliques de carbone issues de matrices
inorganiques’’, Colloque Energies du CNRS, Grenoble, (2005).
P8: T. Roussel, C. Bichara and R. J.-M. Pellenq, ‘’A Grand Canonical Monte-Carlo Simulation of the Textural,
Mechanical and Adsorption Properties of Faujasite zeolite Carbon Replica’’, Nanotech, Boston (US), (2006).
P9: C. Bichara, T. Roussel, RJ.M. Pellenq [XIII. Atomic Structure of Carbon Nanotubes]. NT06 - Seventh
International Conference on the Science and Application of Nanotubes, Nagano, Japan (June 2006) : “In
AlPO4-5 grown Single Wall Nanotubes are defective”
P10: T. Roussel and L.F. Vega, “A simplified Numerical tool to predict thermodynamicsof bi-molecular monolayer
self-assemblies onto surfaces”, Annual meeting of the National research CONSOLIDER Nanoselect, (2009)
P11: T. Roussel and L.F. Vega, “Self-Assembly of Nano-Objects onto Surfaces (SANOs): 2D Grand Canonical
Monte-Carlo approach”, International SOFT MATTER Conference, Granada, Spain, (2010)
P12: T. Roussel and L.F. Vega, “Large Scale Modeling of the Self-Assembly of Nano-Objects using a Grid
Interpolation technique”, XVII Congreso de Física Estadística Barcelona, Edificio de Física y Química,
Universidad de Barcelona, Spain, (2011).
P13: T. Roussel, E. Barrena, O. Carmen and J. Faraudo, “2D Supramolecular Self-Assembly on Gold
Reconstructed Surface”, Annual meeting of the National research CONSOLIDER Nanoselect, Sant Feliu de
Guíxols, Spain (1-4/07/2012).
10. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
10
P14: T. Roussel, E. Barrena, O. Carmen and J. Faraudo, “Large Scale Modeling and the Role of Reconstructed
Gold Surface on Tunable Supramolecular Nanostructures”, ICPOC21 – 21st
IUPAC International Conference
on Physical Organic Chemistry, RSC, Durham University, UK, (9-13/09/2012).
P15: T. Roussel, T. Leoni, T. Lelaidier, A. Ranguis, O. Siri, C. Becker and J. Faraudo, “Hydrogen Bonds versus
Surface Roughness: a Competitive Self-assembly of Organic Molecules on a Reconstructed Surface”, Annual
meeting of the National research CONSOLIDER Nanoselect, Sant Feliu de Guíxols, Spain (14-16/07/2013).
PARTICIPATION TO NATIONAL RESEARCH PROJECTS
PR1 – PROJECT TITLE: Large scale modeling of the self-assembly of organic molecules on surfaces.
Financial Entity: JAEDoc Program (co-funded by CSIC and the EU)
Principal Investigator: Dr. Jordi Faraudo
From: 01/10/2010 to: 30/09/2013
PR2 – PROJECT TITLE: Materiales avanzados y Nanotecnologías para dispositivos y sistemas eléctricos,
electrónicos y magnetoeletrónicos innovadores (NANOSELECT)
Financial Entity: CSIC, CSD2007-00041
Principal Investigator: Obradors Berenguer, Xavier
From: 01/10/2007 to: 29/11/2012
PR3 – PROJECT TITLE: Ayudas de apoyo a las actividades de grupos de investigación consolidados
Financial Entity: Generalitat de Catalunya, AGAUR, 2009SGR-666
Principal Investigator: Dr. Lourdes Vega Fernández
From: 01/02/2009 to: 30/09/2010
PR4 – PROJECT TITLE: Diseño racional de procesos y materiales para aplicaciones en energía y
nanotecnología
Financial Entity: Ministerio de Ciencia e Innovación. Proyecto CTQ2008-05370
Principal Investigator: Dr. Lourdes Vega Fernández
From: 01/01/2009 to: 31/12/2011
PR5 – PROJECT TITLE: Action Concertée Incitative Energie: Project PR1-2-HYDROCAR
Financial Entity: French Ministry of Research and Education
Principal Investigator: Dr. François Béguin
From: 01/01/2009 to: 31/12/2011
CONTACTS FOR SCIENTIFIC RECOMMENDATIONS:
Dr Roland Pellenq,
MultiScale Material Science for Energy and Environment (UMI CNRS/MIT)
Massachusetts Institute of Technology
77 Massachusettes Avenue, Cambridge, MA 02139, Boston (USA)
pellenq@mit.edu
Dr. Jordi Faraudo Dr. Carmen Ocal Esther Barrena
jfaraudo@icmab.es cocal@icmab.es ebarrena@icmab.es
ICMAB-CSIC ICMAB-CSIC ICMAB-CSIC
Campus de la UAB Campus de la UAB Campus de la UAB
08193 Bellaterra 08193 Bellaterra 08193 Bellaterra
Spain Spain Spain
11. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS -
INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA
11
CONTACTS FOR TEACHING RECOMMENDATIONS:
LoR and teaching certificates are addressed here:
https://webmail.icmab.es/home/troussel@icmab.es/Briefcase/CERTIFICATS%20ENSEIGNEMENTS
Contacts :
Prof. Charling Tao
Tsinghua Center for Astrophysics
Beijing, China
tao@in2p3.fr
Dr. Hubert Klein
CINAM UMR 7325 CNRS
case 913 campus de Luminy
klein@cinam.univ-mrs.fr
Dr. Carole Fauquet
CINAM UMR 7325 CNRS
case 913 campus de Luminy
fauquet@cinam.univ-mrs.fr