[QSAR] Fwd: International Conference of Computational Methods in Sciences and Engineering 2007 (ICCMSE 2007)
List for Members of QSAR and Modeling Society
qsar_society at qsar.org
Sat Apr 14 04:32:31 EDT 2007
Apologies for cross-posting
Dear Colleagues
This year we organize the International Conference of Computational
Methods in Sciences and Engineering 2007 (ICCMSE 2007), HOTEL MARBELLA,
Corfu, Greece, 25-30 September 2007. URL Address: http://www.iccmse.org/
For this Conference I want to mention the following:
1. During ICCMSE 2007 the following Lectures will take place:
Highlighted Lectures for ICCMSE 2007 so far:
Reinhart Ahlrichs, University of Karlsruhe (Germany), N.Y. Ohrn,
University of Florida (USA), Henry F. Schaefer III, University of
Georgia (USA)
Invited Speakers
Patrick W.Fowler, University of Sheffield (UK), Feng Wang, Swinburne
University of Technology (Australia)
Keynote Speakers
Jochen Autschbach, State University of New York at Buffalo (USA),
Cristian V. Ciobanu, Colorado School of Mines (USA), Patrick Norman,
Linkoping University (Sweden), Alejandro Toro-Labbe, Pontificia
Universidad Catolica de Chile (Chile), Patrizia Calaminici, CINVESTAV
(Mexico)
2. During ICCMSE 2007 the following Highlighted Symposium will take place:
Highlighted Symposium of ICCMSE 2007
Modern electronic structure theory and its applications: A symposium in
honor of Professor Rodney J. Bartlett
Organizers: Ajit J. Thakkar, University of New Brunswick (Canada),
E-mail: ajit at unb.ca and George Maroulis, University of Patras (Greece),
E-mail: maroulis at upatras.gr
3. Proceedings: We are proud to announce that the Proceedings of ICCMSE
2007 will be published in the very famous AIP (American Institute of
Physics) Conference Proceedings.
. Invited Papers will be published in a Special Volume of the AIP
(American Institute of Physics) Conference Proceedings
. Short papers (4 A4 pages) will be published in a Special Volume of the
AIP (American Institute of Physics) Conference Proceedings
4. During the Conference Award(s) will be given to the Best Student
Paper(s): Subject Areas: Computational Mathematics, Computational
Medicinal Chemistry, Computational Chemistry, Computational Physics,
Computational Engineering
Candidates are young scientists: Graduate students (or with a recently
completed PhD thesis )
The interested young scientists must: (1) Send their extended abstract
for peer review, (2) Express their interest for the participation in the
competition, (This must be done at the (1) stage), (3) Present their
paper in ICCMSE.
Each participant of ICCMSE 2007 will receive 2 Volumes of the
Proceedings of ICCMSE 2007. The First Volume contains the papers of
Invited Lecturers and Second Volume contains the short papers of the
participants
Please circulate the following announcement, call for papers, sessions
and minisymposia and leaflet to your colleagues.
If you want leaflets and posters for ICCMSE 2007, please send your
request to tsimos at mail.ariadne-t.gr and a carbon copy to:
tsimos.conf at gmail.com.
Leaflet can be obtained at: http://www.iccmse.org/
Sincerely yours
Professor Dr. T.E. Simos
Chair and Organiser ICCMSE
FIRST ANNOUNCEMENT AND CALL FOR PAPERS
International Conference of Computational Methods in Sciences and
Engineering 2007 (ICCMSE 2007), HOTEL MARBELLA, Corfu, Greece, 25-30
September 2007.
URL Address: http://www.iccmse.org/
In the past decades many significant insights have been made in
several areas of Computational Methods in Sciences and Engineering.
New problems and methologies have appeared. There is permanently a
need in these fields for the advancement of information exchange. This
undoubtedly beneficial practice of interdisciplinary and
multidisciplinary interactions should be expressed by an
interdisciplinary and multidisciplinary conference on Computational
Methods in Sciences and Engineering. ICCMSE 2007 aims at playing the
above role and for this reason the aim of the conference is to bring
together computational scientists and engineers from several
disciplines in order to share methods, methologies and ideas.
The topics to be covered include (but are not limited to):
Computational Mathematics, Theoretical and Computational Physics and
Theoretical and Computational Chemistry, Computational Engineering and
Mechanics, Computational Biology and Medicine, Computational
Geosciences and Meteorology, Computational Economics and Finance,
Financial Forecasting, Scientific Computation, High Performance
Computing, Parallel and Distributed Computing, Visualization, Problem
Solving Environments, Software Tools, Advanced Numerical Algorithms,
Modelling and Simulation of Complex System, Web-based Simulation and
Computing, Grid-based Simulation and Computing, Computational Grids,
Fuzzy Logic, Hybrid Computational Methods, Data Mining and Information
Retrieval, Virtual Reality, Reliable Computing, Image Processing,
Computational Science and Education etc.
General Chair:
Professor Dr. T.E. Simos, Academician of EASA, EAS, EAASH, University
of Peloponnese, Tripolis, Greece.
Co-Chair:
Professor Dr. George Maroulis, University of Patras, Patras, Greece.
Scientific Committee:
Dr. B. Champagne, Universite de Namur, Belgique
Prof. S. Farantos, University of Crete, Greece
Prof. I. Gutman, University of Kragujevac, Serbia & Montenegro
Prof. P.Mezey, Memorial University of Newfoundland , Canada
Prof. C. Pouchan, Universite de Pau, France.
Dr. G. Psihoyios, Vice-President ESCMSE
Prof. B. M. Rode, University of Innsbruck, Austria.
Prof. A. J. Thakkar, University of New Brunswick, Canada
Highlighted Lectures for ICCMSE 2007 so far:
Reinhart Ahlrichs, University of Karlsruhe (Germany),
N.Y. Ohrn, University of Florida (USA),
Henry F. Schaefer III, University of Georgia (USA)
Invited Speakers
Patrick W.Fowler, University of Sheffield (UK)
Feng Wang, Swinburne University of Technology (Australia)
Keynote Speakers
Jochen Autschbach, State University of New York at Buffalo (USA),
Cristian V. Ciobanu, Colorado School of Mines (USA), Patrick Norman,
Linkoping University (Sweden),
Alejandro Toro-Labbe, Pontificia Universidad Catolica de Chile (Chile),
Patrizia Calaminici, CINVESTAV (Mexico)
Highlighted Symposium of ICCMSE 2007
Modern electronic structure theory and its applications: A symposium
in honor of Professor Rodney J. Bartlett
Organizers: Ajit J. Thakkar, University of New Brunswick (Canada),
E-mail: ajit at unb.ca and George Maroulis, University of Patras
(Greece), E-mail: maroulis at upatras.gr
Proceedings:
Proceedings: We are proud to announce that the Proceedings of ICCMSE
2007 will be published in the very famous AIP (American Institute of
Physics) Conference Proceedings.
• Invited Papers will be published in a Special Volume of the AIP
(American Institute of Physics) Conference Proceedings
• Short papers (4 A4 pages) will be published in a Special Volume of
the AIP (American Institute of Physics) Conference Proceedings
Each participant of ICCMSE 2007 will receive 2 Volumes of the
Proceedings of ICCMSE 2007. The First Volume contains the papers of
Invited Lecturers and Second Volume contains the short papers of the
participants
The journals which until now have accepted to publish selected
Proceedings of ICCMSE 2007 are:
• Journal of Computational Methods in Sciences and Engineering -
JCMSE (IOS Press)
• Journal of Mathematical Chemistry (Springer-Verlag)
• MATCH (Communications in Mathematical and in Computer Chemistry)
• Applied Mathematics and Computation (Elsevier Science Publishers)
• Molecular Simulation (Taylor & Francis)
• International Journal of Quantum Chemistry (Wiley & Sons)
• The Journal of Supercomputing (Kluwer Academic Publishers)
• Mathematical and Computer Modelling (Elsevier Science Publishers)
• Computing Letters (VSP/Brill)
Call for Sessions, Workshops and Minisymposia
Each session’s organizer will be responsible for the selection of
papers. Each session or workshop should include at least 8 papers
(from which 2 papers can be from the Organiser or his team). Each
minisymposium should include at least 10 papers (from which 2 papers
can be from the Organiser or his team).
The Session and the Symposium organisers will have benefits that are
negotiable with the General Chair Professor Theodore Simos
(tsimos at mail.ariadne-t.gr and iccmse at uop.gr)
DEADLINE FOR MINISYMPOSIA, SESSIONS AND OR WORKSHOP PROPOSAL: 15 June
2007 (PLEASE REFER TO THE NOTES IN THE PAGES OF CALL FOR PAPERS AND
IMPORTANT DATES)
WE NOTE THAT THE SHORT PAPERS OF THE PAPERS OF EACH MINISYMPOSIUM OR
SESSION OR WORKSHOP MUST BE ARRIVED VIA E-MAIL TO THE SECRETARY OF THE
EDITOR OF ICCMSE 2007 AT: iccmse at uop.gr NO LATER THAN 15 July 2007.
SYMPOSIA WHICH HAVE BEEN APPROVED: Please see at:
http://www.iccmse.org/Sessions_Minisymposia.htm
Call for papers
You are invited to submit a paper and/or proposal to organize a
woskshop, session or minisymposium. All accepted papers will be
published in the Proceedings of ICCMSE 2007 which will be published in
the very famous AIP (American Institute of Physics) Conference
Proceedings (see http://www.iccmse.org/proceeding.htm).
A selected number of papers will be published in special issues of
appropriate journals (see http://www.iccmse.org/proceeding.htm).
Deadline for submission: 15 July 2007. All the papers should be send
to: Secretary of the Editor of ICCMSE 2007. E-mail:
tsimos at mail.ariadne-t.gr and a carbon copy to: tsimos.conf at gmail.com,
Postal Address: 10 Konitsis Street, Amfithea Paleon Faliro, GR-175 64
Athens, Greece, Fax: +30210 94 20 091 or + 30 2710 237397
Best Student Paper Award
During the Conference Award(s) will be given to the Best Student Paper(s)
Subject Areas
Computational Mathematics
Computational Medicinal Chemistry
Computational Chemistry
Computational Physics
Computational Engineering
Candidates are young scientists: Graduate students (or with a recently
completed PhD thesis )
SYMPOSIA WHICH HAVE BEEN APPROVED
Highlighted Symposium
Modern electronic structure theory and its applications: A symposium
in honor of Professor Rodney J. Bartlett
Organizers
Ajit J. Thakkar
University of New Brunswick, ajit at unb.ca
George Maroulis, University of Patras, maroulis at upatras.gr
URL Address of the Sympsosium:
http://www.unb.ca/fredericton/science/chem/ajit/rjbsymp.htm
This symposium is focused on mathematical and computational
developments in and applications of modern electronic structure
theory. Particular emphasis is placed on the coupled-cluster method
and on ab initio density functional theory -- subjects to which Rodney
Bartlett has made significant contributions.
Symposium 1
Title: Multi-scale simulations for materials and life sciences
Organizers: Frederic Castet, University of Bordeaux, France, E-mail:
f.castet at lpcm.u-bordeaux1.fr
Benoit Champagne, University of Namur, Belgium,
E-mail: benoit.champagne at fundp.ac.be
Masayoshi Nakano, Osaka University, Japan, E-mail:
mnaka at cheng.es.osaka-u.ac.jp
Hideaki Takahashi, Osaka University, Japan,
E-mail: takahasi at chemeng.cheng.es.osaka-u.ac.jp
Description: Molecular modeling is playing an increasing role in
materials and life sciences. This encompasses the characterization of
small building blocks using very accurate ab initio approaches as well
as the study of supramolecular architectures using density functional
theory and molecular mechanics approaches. This symposium will cover
different aspects of the modeling approaches and will concentrate on
the following domains of applications: reaction dynamics, solution
theory, quantum biology, magnetic properties, conductivity and
superconductivity, charge transfers, as well as linear and nonlinear
optical properties. It will combine talks on both methodological
developments and applications in relation with experimental data.
Symposium 2
Title: Atomistic Calculations in condensed matter physics, surface
physics, and nanophysics
Organizer: Aristides Zdetsis, University of Patras
E-mail address: zdetsis at upatras.gr
Description: Atomic level modelling and calculation of the structure
and properties of materials has become widespread over the last few
years due to the great advances in fundamental physical understanding
of bonding and the enormous increase of computing power. The atomistic
research through laboratory experiments based on current experimental
technology is limited by the fact that rarely possible to manipulate
and observe individual atoms. Thus, laboratory measurements can be
supplemented and enhanced by computer based experiments and
simulations which only recently have become available for a sufficient
number of atoms. This is largely related to the processing power
needed for extremely complex quantum mechanical calculations. As a
result the field is expanding rapidly, touching on a variety of other
scientific research areas including mainstream physics and chemistry,
surface science, materials science, and even biochemistry. The
fundamental point in contemporary atomistic research is that the
quantum mechanical Schrodinger
equation must be solved for all atoms under consideration plus their
bonding electrons in real space and with high accuracy. The high
accuracy achieved over the last few years makes the application of
atomistic methods meaningful and of practical value for real world
industrial and scientific applications. Furthermore in several
situations the value of atomistic calculations can be largely expanded
through concurrent coupling of length scales in solid state and
material science systems. Through the coupling of quantum to
statistical and to continuum mechanics an accurate description of
specific materials on length scales spanning the electronic to the
macroscopic can be accomplished.
Symposium 3
Title: Computational methods in chemical engineering: physical chemistry
Organizers: Ioannis A.Bitsanis, FO.R.T.H-I.E.S.L and Evangelos Manias,
Pennsylvania State University
E-mail: bitsanis at iesl.forth.gr and manias at psu.edu
Description: Chemical Engineering, since its inception as a distinct
discipline, has pioneered the efforts for the prediction of
physicochemical properties of rather complex materials (molecular
liquids, polymeric fluids, colloidal suspensions). From its
engineering viewpoint it aimed at concrete results that could be, and
have been, utilized for process control, design and optimization
purposes. These efforts produced, and keep producing, fundamental
advances in our understanding of “soft matter” and in our ability to
model it. The Symposium aims at synthesizing methodologies (e.g.,
fundamental molecular models, empirical molecular models, simulations
and simulation innovations, predictive use of basic findings) by
bringing together researchers that have contributed to the various
aspects of “molecular engineering”.
Symposium 4
Title: International Symposium on Computational Electrochemistry
Organizers: Leslaw K. Bieniasz (Cracow, Poland). E-mail:
nbbienia at cyf-kr.edu.pl
Dieter Britz (Aarhus, Denmark)
Description: The Symposium will be devoted to ALL ASPECTS of computer
and computational method uses in electrochemistry, including (but not
necessarily limited to): digital simulations and computer-aided data
analysis in electrochemical kinetics, electroanalysis, or other fields
involving electrochemical continuum computations quantum chemical and
molecular calculations (ab initio, Monte-Carlo, Molecular Dynamics,
etc.), electrochemical software, expert systems, computer-aided
instrumentation, electrochemical engineering calculations
Presentations dealing with ALL such subjects are welcome. However,
presentations devoted to NEW computational methods and approaches are
particularly encouraged (rather than mere applications of widely known
and used methods), in agreement with the general mission of the ICCMSE
Conferences.
The goal of the Symposium is to bring together scientists working in
diverse areas of computational
electrochemistry, in order to share ideas and to discuss possibilities
for a more co-ordinated development of this emerging branch of
electrochemistry and computational science.
Symposium 5
Title: "5th Symposium on Mathematical Chemistry"
Organizer: Sonja Nikolic, The Rugjer Boskovic Institute, Division of
Physical Chemistry, Zagreb, Croatia
Email address: sonja at irb.hr
Scope and Topics: Graph Theory development, studying complexity of
molecules and reactions, development of molecular descriptors,
modeling structure-property-activity, advanced chemometric routines
and cheminformatics algorithms as the tools required by chemical
engineers and analytical chemists to explore their data and build
predictive models.
Symposium 6
Title: "Approaches and Methods of Security Engineering"
Organizer: Dr. Tai-hoon Kim, Garak-Dong, Songpa-Gu, Seoul, Rep. Of
Korea, Security Engineering Research Center.
E-mail address: taihoonn at empal.com, Tel:+82-19-316-7017
Scope and Topics: The general systems of today are composed of a
number of components such as servers and clients, protocols, services,
and so on. Systems connected to network have become more complex and
wide, but the researches for the systems are focused on the
‘performance’ or ‘efficiency’. While most of the attention in system
security has been focused on encryption technology and protocols for
securing the data transaction, it is critical to note that a weakness
(or security hole) in any one of the components may comprise whole
system. Security engineering is needed for reducing security holes may
be included in the software. There are very many approaches or methods
in software development or software engineering. Therefore, more
security-related researches are needed to reduce security weakness may
be included in the software and complement security-related
considerations of general software engineering.
Topics of interest include, but are not limited to
Approaches or methods for securing IT products or applications,
Approaches or methods for securing development processes,
Approaches or methods for securing operational environments,
Approaches or methods for assuring of security countermeasures,
Parallel use of security assurance approaches or methods,
Wireless network security and assurance,
Common criteria (CC) and protection profile (PP)
Symposium 7
Title: "Quantum Molecular Response and Reaction Dynamics: Theory and
Computations"
A symposium in honor of N. Yngve Ohrn
Organizers: Frank Harris, University of Florida, Jonh R. Sabin,
University of Florida
Email address: harris at qtp.ufl.edu, sabin at qtp.ufl.edu
Scope and Topics: The symposium will be focused on areas of research
exemplified in the career of Professor Ohrn: Nonadiabatic approaches
to reactive atomic and molecular processes; dynamics without potential
energy surfaces; alternative descriptions of time dependent phenomena;
propagator methods and response properties.
Symposium 8
Title: " Modeling Complex Molecular and Biomaterial Systems:
Simulation of Reactive Processes, Methodological Advances and
Interplay with the Experiments"
Organizer: Marco Garavelli, Universita' degli Studi di Bologna, Italy
Email address: marco.garavelli at unibo.it
Scope and Topics: The purpose is to bring about multidisciplinary
aspects of the simulation of (thermal/photo-induced) reactive
processes in molecular materials of biological and technological
relevance, spanning from first principles computations to concurrency
theory and process calculi, including methodological developments. A
particular attention will be also devoted to the experiments and their
interplay with theory and computations (for this purpose,
experimentally oriented key-lectures will be also scheduled) to
stimulate discussion and concepts dissemination, and trigger the
exchange of ideas and opinions among different areas.
Symposium 9
Title: " Quantum Control and Light-Matter Interactions: Recent
Computational and Theoretical Results"
Organizers: Emmanuel Paspalakis, University of Patras, Greece and
Ioannis Thanopulos, The University of British Columbia, Canada
Email address: paspalak at upatras.gr, ioannis at chem.ubc.ca
Scope and Topics: It has been recognized over the past decades that
electromagnetic fields can be used successfully for the controlled
manipulation of quantum material systems over a wide range of time,
size and energy scales. Alternatively, proper control of the quantum
dynamics of material systems can be used for the manipulation of
light. The interaction of light with matter and its application for
quantum control has thus become an integral part of numerous research
areas, including chemical physics, nonlinear optics, quantum optics,
quantum computation and quantum information processing, and ultra-cold
matter. This symposium aims to highlight new computational and
theoretical results related to quantum control and light-matter
interactions in all relevant research fields.
The research topics of the symposium are, but not limited to:
· Quantum Control of Atoms, Molecules and Nanoscale Systems
· Quantum Control of Semiconductors and Semiconductor Nanostructures
· Quantum Control of Complex Systems
· Laser Control of Wavepacket Dynamics
· Intense and Super-Intense Laser-Matter Interactions
· Active and Passive Control of Light by Matter
· Applications of Control Techniques in Ultra-Cold Matter
· Applications of Control Techniques in Nonlinear and Quantum Optics.
· Applications of Control Techniques in Quantum Computation and
Quantum Information Processing: Implementations, Entanglement,
Decoherence, Quantum Error Correction, Quantum Communication
Symposium 10
Title: " Frontiers in Computational Biological and Medicinal Chemistry"
Organizer: Salvatore Guccione, Ph.D., MOLECULAR MODELLING LABORATORY,
University of Catania, Faculty of Pharmacy, Dipartimento di Scienze
Farmaceutiche, viale Andrea Doria, 6, Ed. 2 ,Citta Universitaria,
I-95125 Catania (ITALY), Telephone: +39 095 738-4020, Fax:+39 095 443604
Email address: guccione at unict.it
Scope and Topics: Proteomics is the effort to uncover information
about how genes are related to biological functions and disease
states. There is also great interest in the power of proteomics to
identify targets for disease intervention and treatment, given that
most drug targets are proteins.
Computational protein-ligand docking methods or ligand based
“indirect” approaches are now routinely used to predict the binding
mode of biologically active small molecules when complexed to their
protein receptors.
Observed binding affinities and biological effects can be rationalized
in terms of specific interactions with the protein binding site and
exploited for the drug design and lead optimization.
Aim of the session will be to put together state of the art knowledge
on proteomes, their modifications in disease states as well as the
applications of this knowledge to Biological and Medicinal Chemistry.
Symposium 11
Title: "4th Symposium on Industrial and Environmental Case Studies"
Organizer: Fragiskos Batzias, Vice Head of the Department of
Industrial Management & Technology at the University of Piraeus,
Greece; Head of the Laboratory of Simulation of Industrial Processes
and the Research Group of Systems Analysis. Karaoli & Dimitriou 80,
18534, Piraeus, Greece. Tel.: +30 210 4142369; +30 2104142368 Fax.:
+30 210 4142392
Email addresses: fbatzi at unipi.gr; csiontor at unipi.gr
Scope and Topics: This Symposium appeared for the first time within
ICCMSE 2004 and continued within ICCMSE 2005 and 2006 with
considerable success (more than 50% increase of participants each
year). All kinds of case studies on industrial and environmental
issues are welcomed, provided that they are not solely theoretical but
include or refer to some kind of computational methodology and
possibly an implementation or short case examples based on real or
simulated data. Practical applications are also accepted for
consideration, provided that they are adequately connected with the
corresponding field of Science or Engineering or Technology.
Papers within an industrial or environmental field, including or
referring to some kind of computational methodology and possibly a
case study implementation based on real or simulation data, should be
emailed directly to fbatzi at unipi.gr; csiontor at unipi.gr by 15th June
2007.
Symposium 12
Title: "Interaction and exchange of ideas between Computer Science
and Computational Chemistry"
Organizers: Kazuaki J. Murakami, Computing and Communications Center,
Department of Informatics, Kyushu University, Japan; George Maroulis,
Department of Chemistry, University of Patras, Greece
Email addresses: murakami at i.kyushu-u.ac.jp and maroulis at upatras.gr
Scope and Topics: Modern computational chemistry is playing and will
continue to play an important role in understanding the structures and
properties of molecules and solids. It almost covers any of the areas
of science that overlap between computer science and chemistry. It
requires a mixture of developing new methods, finding high performance
computing algorithms, and applying to scientifically challenging
problems. Unique to this area is the level of detail at the atomistic
level, not typically addressed in the other computational science
areas. Computational chemistry increases at a rate of the development
of computer science. This goal of this symposium is to bring together
people from both computational chemistry and computer science and to
facilitate the exchange ideas on the current efforts in computer
science technologies and new scientific developments in computational
chemistry.
Contact information:
Secretary ICCMSE 2007 (Mrs Eleni Ralli-Simou), E-mail:
tsimos at mail.ariadne-t.gr and a carbon copy to: tsimos.conf at gmail.com,
Postal Address: 10 Konitsis Street, Amfithea Paleon Faliron, GR-175
64, Athens, Greece, Fax: +30210 94 20 091 or + 30 2710 237397
----------------------------------------------------------------
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Servizio di Posta Elettronica
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FIRST ANNOUNCEMENT AND CALL FOR PAPERS
International Conference of Computational Methods in Sciences and Engineering 2007 (ICCMSE 2007), HOTEL MARBELLA, Corfu, Greece, 25-30 September 2007.
URL Address: http://www.iccmse.org/
In the past decades many significant insights have been made in several areas of Computational Methods in Sciences and Engineering. New problems and methologies have appeared. There is permanently a need in these fields for the advancement of information exchange. This undoubtedly beneficial practice of interdisciplinary and multidisciplinary interactions should be expressed by an interdisciplinary and multidisciplinary conference on Computational Methods in Sciences and Engineering. ICCMSE 2007 aims at playing the above role and for this reason the aim of the conference is to bring together computational scientists and engineers from several disciplines in order to share methods, methologies and ideas.
The topics to be covered include (but are not limited to):
Computational Mathematics, Theoretical and Computational Physics and Theoretical and Computational Chemistry, Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Financial Forecasting, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, Fuzzy Logic, Hybrid Computational Methods, Data Mining and Information Retrieval, Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc.
General Chair:
Professor Dr. T.E. Simos, Academician of EASA, EAS, EAASH, University of Peloponnese, Tripolis, Greece.
Co-Chair:
Professor Dr. George Maroulis, University of Patras, Patras, Greece.
Scientific Committee:
Dr. B. Champagne, Universite de Namur, Belgique
Prof. S. Farantos, University of Crete, Greece
Prof. I. Gutman, University of Kragujevac, Serbia & Montenegro
Prof. P.Mezey, Memorial University of Newfoundland , Canada
Prof. C. Pouchan, Universite de Pau, France.
Dr. G. Psihoyios, Vice-President ESCMSE
Prof. B. M. Rode, University of Innsbruck, Austria.
Prof. A. J. Thakkar, University of New Brunswick, Canada
Highlighted Lectures for ICCMSE 2007 so far:
Reinhart Ahlrichs, University of Karlsruhe (Germany),
N.Y. Ohrn, University of Florida (USA),
Henry F. Schaefer III, University of Georgia (USA)
Invited Speakers
Patrick W.Fowler, University of Sheffield (UK)
Feng Wang, Swinburne University of Technology (Australia)
Keynote Speakers
Jochen Autschbach, State University of New York at Buffalo (USA),
Cristian V. Ciobanu, Colorado School of Mines (USA), Patrick Norman, Linkoping University (Sweden),
Alejandro Toro-Labbe, Pontificia Universidad Catolica de Chile (Chile),
Patrizia Calaminici, CINVESTAV (Mexico)
Highlighted Symposium of ICCMSE 2007
Modern electronic structure theory and its applications: A symposium in honor of Professor Rodney J. Bartlett
Organizers: Ajit J. Thakkar, University of New Brunswick (Canada), E-mail: ajit at unb.ca and George Maroulis, University of Patras (Greece), E-mail: maroulis at upatras.gr
Proceedings:
Proceedings: We are proud to announce that the Proceedings of ICCMSE 2007 will be published in the very famous AIP (American Institute of Physics) Conference Proceedings.
• Invited Papers will be published in a Special Volume of the AIP (American Institute of Physics) Conference Proceedings
• Short papers (4 A4 pages) will be published in a Special Volume of the AIP (American Institute of Physics) Conference Proceedings
Each participant of ICCMSE 2007 will receive 2 Volumes of the Proceedings of ICCMSE 2007. The First Volume contains the papers of Invited Lecturers and Second Volume contains the short papers of the participants
The journals which until now have accepted to publish selected Proceedings of ICCMSE 2007 are:
• Journal of Computational Methods in Sciences and Engineering - JCMSE (IOS Press)
• Journal of Mathematical Chemistry (Springer-Verlag)
• MATCH (Communications in Mathematical and in Computer Chemistry)
• Applied Mathematics and Computation (Elsevier Science Publishers)
• Molecular Simulation (Taylor & Francis)
• International Journal of Quantum Chemistry (Wiley & Sons)
• The Journal of Supercomputing (Kluwer Academic Publishers)
• Mathematical and Computer Modelling (Elsevier Science Publishers)
• Computing Letters (VSP/Brill)
Call for Sessions, Workshops and Minisymposia
Each session’s organizer will be responsible for the selection of papers. Each session or workshop should include at least 8 papers (from which 2 papers can be from the Organiser or his team). Each minisymposium should include at least 10 papers (from which 2 papers can be from the Organiser or his team).
The Session and the Symposium organisers will have benefits that are negotiable with the General Chair Professor Theodore Simos (tsimos at mail.ariadne-t.gr and iccmse at uop.gr)
DEADLINE FOR MINISYMPOSIA, SESSIONS AND OR WORKSHOP PROPOSAL: 15 June 2007 (PLEASE REFER TO THE NOTES IN THE PAGES OF CALL FOR PAPERS AND IMPORTANT DATES)
WE NOTE THAT THE SHORT PAPERS OF THE PAPERS OF EACH MINISYMPOSIUM OR SESSION OR WORKSHOP MUST BE ARRIVED VIA E-MAIL TO THE SECRETARY OF THE EDITOR OF ICCMSE 2007 AT: iccmse at uop.gr NO LATER THAN 15 July 2007.
SYMPOSIA WHICH HAVE BEEN APPROVED: Please see at: http://www.iccmse.org/Sessions_Minisymposia.htm
Call for papers
You are invited to submit a paper and/or proposal to organize a woskshop, session or minisymposium. All accepted papers will be published in the Proceedings of ICCMSE 2007 which will be published in the very famous AIP (American Institute of Physics) Conference Proceedings (see http://www.iccmse.org/proceeding.htm).
A selected number of papers will be published in special issues of appropriate journals (see http://www.iccmse.org/proceeding.htm). Deadline for submission: 15 July 2007. All the papers should be send to: Secretary of the Editor of ICCMSE 2007. E-mail: tsimos at mail.ariadne-t.gr and a carbon copy to: tsimos.conf at gmail.com, Postal Address: 10 Konitsis Street, Amfithea Paleon Faliro, GR-175 64 Athens, Greece, Fax: +30210 94 20 091 or + 30 2710 237397
Best Student Paper Award
During the Conference Award(s) will be given to the Best Student Paper(s)
Subject Areas
Computational Mathematics
Computational Medicinal Chemistry
Computational Chemistry
Computational Physics
Computational Engineering
Candidates are young scientists: Graduate students (or with a recently completed PhD thesis )
SYMPOSIA WHICH HAVE BEEN APPROVED
Highlighted Symposium
Modern electronic structure theory and its applications: A symposium in honor of Professor Rodney J. Bartlett
Organizers
Ajit J. Thakkar
University of New Brunswick, ajit at unb.ca
George Maroulis, University of Patras, maroulis at upatras.gr
URL Address of the Sympsosium:
http://www.unb.ca/fredericton/science/chem/ajit/rjbsymp.htm
This symposium is focused on mathematical and computational developments in and applications of modern electronic structure theory. Particular emphasis is placed on the coupled-cluster method and on ab initio density functional theory -- subjects to which Rodney Bartlett has made significant contributions.
Symposium 1
Title: Multi-scale simulations for materials and life sciences
Organizers: Frederic Castet, University of Bordeaux, France, E-mail: f.castet at lpcm.u-bordeaux1.fr
Benoit Champagne, University of Namur, Belgium,
E-mail: benoit.champagne at fundp.ac.be
Masayoshi Nakano, Osaka University, Japan, E-mail: mnaka at cheng.es.osaka-u.ac.jp
Hideaki Takahashi, Osaka University, Japan,
E-mail: takahasi at chemeng.cheng.es.osaka-u.ac.jp
Description: Molecular modeling is playing an increasing role in materials and life sciences. This encompasses the characterization of small building blocks using very accurate ab initio approaches as well as the study of supramolecular architectures using density functional theory and molecular mechanics approaches. This symposium will cover different aspects of the modeling approaches and will concentrate on the following domains of applications: reaction dynamics, solution theory, quantum biology, magnetic properties, conductivity and superconductivity, charge transfers, as well as linear and nonlinear optical properties. It will combine talks on both methodological developments and applications in relation with experimental data.
Symposium 2
Title: Atomistic Calculations in condensed matter physics, surface physics, and nanophysics
Organizer: Aristides Zdetsis, University of Patras
E-mail address: zdetsis at upatras.gr
Description: Atomic level modelling and calculation of the structure and properties of materials has become widespread over the last few years due to the great advances in fundamental physical understanding of bonding and the enormous increase of computing power. The atomistic research through laboratory experiments based on current experimental technology is limited by the fact that rarely possible to manipulate and observe individual atoms. Thus, laboratory measurements can be supplemented and enhanced by computer based experiments and simulations which only recently have become available for a sufficient number of atoms. This is largely related to the processing power needed for extremely complex quantum mechanical calculations. As a result the field is expanding rapidly, touching on a variety of other scientific research areas including mainstream physics and chemistry, surface science, materials science, and even biochemistry. The fundamental point in contemporary atomistic research is that the quantum mechanical Schrodinger
equation must be solved for all atoms under consideration plus their bonding electrons in real space and with high accuracy. The high accuracy achieved over the last few years makes the application of atomistic methods meaningful and of practical value for real world industrial and scientific applications. Furthermore in several situations the value of atomistic calculations can be largely expanded through concurrent coupling of length scales in solid state and material science systems. Through the coupling of quantum to statistical and to continuum mechanics an accurate description of specific materials on length scales spanning the electronic to the macroscopic can be accomplished.
Symposium 3
Title: Computational methods in chemical engineering: physical chemistry
Organizers: Ioannis A.Bitsanis, FO.R.T.H-I.E.S.L and Evangelos Manias, Pennsylvania State University
E-mail: bitsanis at iesl.forth.gr and manias at psu.edu
Description: Chemical Engineering, since its inception as a distinct discipline, has pioneered the efforts for the prediction of physicochemical properties of rather complex materials (molecular liquids, polymeric fluids, colloidal suspensions). From its engineering viewpoint it aimed at concrete results that could be, and have been, utilized for process control, design and optimization purposes. These efforts produced, and keep producing, fundamental advances in our understanding of “soft matter” and in our ability to model it. The Symposium aims at synthesizing methodologies (e.g., fundamental molecular models, empirical molecular models, simulations and simulation innovations, predictive use of basic findings) by bringing together researchers that have contributed to the various aspects of “molecular engineering”.
Symposium 4
Title: International Symposium on Computational Electrochemistry
Organizers: Leslaw K. Bieniasz (Cracow, Poland). E-mail: nbbienia at cyf-kr.edu.pl
Dieter Britz (Aarhus, Denmark)
Description: The Symposium will be devoted to ALL ASPECTS of computer and computational method uses in electrochemistry, including (but not necessarily limited to): digital simulations and computer-aided data analysis in electrochemical kinetics, electroanalysis, or other fields involving electrochemical continuum computations quantum chemical and molecular calculations (ab initio, Monte-Carlo, Molecular Dynamics, etc.), electrochemical software, expert systems, computer-aided instrumentation, electrochemical engineering calculations
Presentations dealing with ALL such subjects are welcome. However, presentations devoted to NEW computational methods and approaches are particularly encouraged (rather than mere applications of widely known and used methods), in agreement with the general mission of the ICCMSE Conferences.
The goal of the Symposium is to bring together scientists working in diverse areas of computational
electrochemistry, in order to share ideas and to discuss possibilities for a more co-ordinated development of this emerging branch of electrochemistry and computational science.
Symposium 5
Title: "5th Symposium on Mathematical Chemistry"
Organizer: Sonja Nikolic, The Rugjer Boskovic Institute, Division of Physical Chemistry, Zagreb, Croatia
Email address: sonja at irb.hr
Scope and Topics: Graph Theory development, studying complexity of molecules and reactions, development of molecular descriptors, modeling structure-property-activity, advanced chemometric routines and cheminformatics algorithms as the tools required by chemical engineers and analytical chemists to explore their data and build predictive models.
Symposium 6
Title: "Approaches and Methods of Security Engineering"
Organizer: Dr. Tai-hoon Kim, Garak-Dong, Songpa-Gu, Seoul, Rep. Of Korea, Security Engineering Research Center.
E-mail address: taihoonn at empal.com, Tel:+82-19-316-7017
Scope and Topics: The general systems of today are composed of a number of components such as servers and clients, protocols, services, and so on. Systems connected to network have become more complex and wide, but the researches for the systems are focused on the ‘performance’ or ‘efficiency’. While most of the attention in system security has been focused on encryption technology and protocols for securing the data transaction, it is critical to note that a weakness (or security hole) in any one of the components may comprise whole system. Security engineering is needed for reducing security holes may be included in the software. There are very many approaches or methods in software development or software engineering. Therefore, more security-related researches are needed to reduce security weakness may be included in the software and complement security-related considerations of general software engineering.
Topics of interest include, but are not limited to
Approaches or methods for securing IT products or applications,
Approaches or methods for securing development processes,
Approaches or methods for securing operational environments,
Approaches or methods for assuring of security countermeasures,
Parallel use of security assurance approaches or methods,
Wireless network security and assurance,
Common criteria (CC) and protection profile (PP)
Symposium 7
Title: "Quantum Molecular Response and Reaction Dynamics: Theory and Computations"
A symposium in honor of N. Yngve Ohrn
Organizers: Frank Harris, University of Florida, Jonh R. Sabin, University of Florida
Email address: harris at qtp.ufl.edu, sabin at qtp.ufl.edu
Scope and Topics: The symposium will be focused on areas of research exemplified in the career of Professor Ohrn: Nonadiabatic approaches to reactive atomic and molecular processes; dynamics without potential energy surfaces; alternative descriptions of time dependent phenomena; propagator methods and response properties.
Symposium 8
Title: " Modeling Complex Molecular and Biomaterial Systems: Simulation of Reactive Processes, Methodological Advances and Interplay with the Experiments"
Organizer: Marco Garavelli, Universita' degli Studi di Bologna, Italy
Email address: marco.garavelli at unibo.it
Scope and Topics: The purpose is to bring about multidisciplinary aspects of the simulation of (thermal/photo-induced) reactive processes in molecular materials of biological and technological relevance, spanning from first principles computations to concurrency theory and process calculi, including methodological developments. A particular attention will be also devoted to the experiments and their interplay with theory and computations (for this purpose, experimentally oriented key-lectures will be also scheduled) to stimulate discussion and concepts dissemination, and trigger the exchange of ideas and opinions among different areas.
Symposium 9
Title: " Quantum Control and Light-Matter Interactions: Recent Computational and Theoretical Results"
Organizers: Emmanuel Paspalakis, University of Patras, Greece and Ioannis Thanopulos, The University of British Columbia, Canada
Email address: paspalak at upatras.gr, ioannis at chem.ubc.ca
Scope and Topics: It has been recognized over the past decades that electromagnetic fields can be used successfully for the controlled manipulation of quantum material systems over a wide range of time, size and energy scales. Alternatively, proper control of the quantum dynamics of material systems can be used for the manipulation of light. The interaction of light with matter and its application for quantum control has thus become an integral part of numerous research areas, including chemical physics, nonlinear optics, quantum optics, quantum computation and quantum information processing, and ultra-cold matter. This symposium aims to highlight new computational and theoretical results related to quantum control and light-matter interactions in all relevant research fields.
The research topics of the symposium are, but not limited to:
· Quantum Control of Atoms, Molecules and Nanoscale Systems
· Quantum Control of Semiconductors and Semiconductor Nanostructures
· Quantum Control of Complex Systems
· Laser Control of Wavepacket Dynamics
· Intense and Super-Intense Laser-Matter Interactions
· Active and Passive Control of Light by Matter
· Applications of Control Techniques in Ultra-Cold Matter
· Applications of Control Techniques in Nonlinear and Quantum Optics.
· Applications of Control Techniques in Quantum Computation and Quantum Information Processing: Implementations, Entanglement, Decoherence, Quantum Error Correction, Quantum Communication
Symposium 10
Title: " Frontiers in Computational Biological and Medicinal Chemistry"
Organizer: Salvatore Guccione, Ph.D., MOLECULAR MODELLING LABORATORY, University of Catania, Faculty of Pharmacy, Dipartimento di Scienze Farmaceutiche, viale Andrea Doria, 6, Ed. 2 ,Citta Universitaria, I-95125 Catania (ITALY), Telephone: +39 095 738-4020, Fax:+39 095 443604
Email address: guccione at unict.it
Scope and Topics: Proteomics is the effort to uncover information about how genes are related to biological functions and disease states. There is also great interest in the power of proteomics to identify targets for disease intervention and treatment, given that most drug targets are proteins.
Computational protein-ligand docking methods or ligand based “indirect” approaches are now routinely used to predict the binding mode of biologically active small molecules when complexed to their protein receptors.
Observed binding affinities and biological effects can be rationalized in terms of specific interactions with the protein binding site and exploited for the drug design and lead optimization.
Aim of the session will be to put together state of the art knowledge on proteomes, their modifications in disease states as well as the applications of this knowledge to Biological and Medicinal Chemistry.
Symposium 11
Title: "4th Symposium on Industrial and Environmental Case Studies"
Organizer: Fragiskos Batzias, Vice Head of the Department of Industrial Management & Technology at the University of Piraeus, Greece; Head of the Laboratory of Simulation of Industrial Processes and the Research Group of Systems Analysis. Karaoli & Dimitriou 80, 18534, Piraeus, Greece. Tel.: +30 210 4142369; +30 2104142368 Fax.: +30 210 4142392
Email addresses: fbatzi at unipi.gr; csiontor at unipi.gr
Scope and Topics: This Symposium appeared for the first time within ICCMSE 2004 and continued within ICCMSE 2005 and 2006 with considerable success (more than 50% increase of participants each year). All kinds of case studies on industrial and environmental issues are welcomed, provided that they are not solely theoretical but include or refer to some kind of computational methodology and possibly an implementation or short case examples based on real or simulated data. Practical applications are also accepted for consideration, provided that they are adequately connected with the corresponding field of Science or Engineering or Technology.
Papers within an industrial or environmental field, including or referring to some kind of computational methodology and possibly a case study implementation based on real or simulation data, should be emailed directly to fbatzi at unipi.gr; csiontor at unipi.gr by 15th June 2007.
Symposium 12
Title: "Interaction and exchange of ideas between Computer Science
and Computational Chemistry"
Organizers: Kazuaki J. Murakami, Computing and Communications Center, Department of Informatics, Kyushu University, Japan; George Maroulis, Department of Chemistry, University of Patras, Greece
Email addresses: murakami at i.kyushu-u.ac.jp and maroulis at upatras.gr
Scope and Topics: Modern computational chemistry is playing and will continue to play an important role in understanding the structures and properties of molecules and solids. It almost covers any of the areas of science that overlap between computer science and chemistry. It requires a mixture of developing new methods, finding high performance computing algorithms, and applying to scientifically challenging problems. Unique to this area is the level of detail at the atomistic level, not typically addressed in the other computational science areas. Computational chemistry increases at a rate of the development of computer science. This goal of this symposium is to bring together people from both computational chemistry and computer science and to facilitate the exchange ideas on the current efforts in computer science technologies and new scientific developments in computational chemistry.
Contact information:
Secretary ICCMSE 2007 (Mrs Eleni Ralli-Simou), E-mail: tsimos at mail.ariadne-t.gr and a carbon copy to: tsimos.conf at gmail.com, Postal Address: 10 Konitsis Street, Amfithea Paleon Faliron, GR-175 64, Athens, Greece, Fax: +30210 94 20 091 or + 30 2710 237397
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