SESSIONS AND SYMPOSIA

Procedures for the approval of a proposal for a session-workshop or symposium:

1. The organiser must send us a proposal for the organisation of a session-workshop or symposium
2. The organiser must give us a small description of his/her proposal (no more than 150 words)
3. The organiser must give us his/her short CV
4. The organiser must inform us about the procedures which will follow for the promotion of this session-workshop or symposium (the organiser is responsible for the promotion)
5. The organiser must give us full affiliations of his/hers with an e-mail in which someone can send a paper on the subject of the session-workshop or symposium.

After approval the organiser will be the responsible person for the selection of the papers. The papers must be send to us until 20/7/2006. In the Proceedings of ICCMSE 2006 (which will be published by VSP/Brill) the session-workshop or symposium will be in a separate section of the Volume with a Preface written by the organiser. A photo (in JPEG) of the organiser together with a short CV of him must be provided together with the contents of his/her symposium. From time to time the organiser must inform us about the participation of his/her symposium.
 

If a participant wants to send a paper to a Symposium mentioned below the e-mail addresses of the organizer(s) must be used.

SYMPOSIA WHICH HAVE BEEN APPROVED

Symposium 1

Title: Computational Biology: Networks – the Language of Life

Organizer: Prof. Danail Bonchev, Center for the Study of Biological Complexity, Virginia Commonwealth University, Richmond, Virginia, USA

E-mail address: dgbonchev@vcu.edu

Description: The next 10-15 years are expected to be the most exciting in the history of biology and medicine, promising to redefine major biological functions and disease mechanisms in terms of biological networks and pathways. The symposium will focus on the mathematical and computational aspects of bionetworks topology and dynamics and structure-function relationships.

Symposium 2

Title: Relativistic quantum theory: Computational perspectives and applications.

Organizer: Prof. Peter Schwerdtfeger

Deputy Director of IFS, Theoretical and Computational Chemistry Research Centre Bldg.44, Institute of Fundamental Sciences (IFS), Massey University (Albany Campus), Private Bag 102904, North Shore MSC,  Auckland, New Zealand.

E-mail address: p.a.schwerdtfeger@massey.ac.nz

Information: http://www.massey.ac.nz/~nzic/iccmse.html

Description: Although relativistic quantum theory is well known since Dirac formulated it in 1928, relativistic computer codes have only been developed in the last two decades. It is now well recognized that heavier elements of the periodic table behave differently from lighter elements because of relativistic effects. For example, in trans-actinide compounds spin-orbit coupling becomes similar, or even
larger, in size compared to typical bond energies. The symposium will address current developments in relativistic quantum chemistry and its applications. It will bring together leading research groups in this field from all over the world. Specific topics to be covered are: New developments in relativistic program codings, applications
to heavy and superheavy element compounds and the solid state, quantum electrodynamic effects and electroweak interactions.

Keynote Speakers:

Symposium 3

Title: Computational Spectroscopy.

Organizers: Uwe Hohm, Claude Pouchan, Benoît Champagne and George Maroulis

Description: Spectroscopic characterizations constitute a key step when designing materials with specific properties or when studying the intimate processes in biological systems. However, owing to the complexity of the systems, unraveling their structures and properties from the experimental spectra is often a challenging task in which simulation methods can contribute. From the early days of quantum mechanics, theoreticians have elaborated approaches to simulate and interpret a broad range of spectra based on interactions between light and matter or between matter and matter giving rise to electronic, vibrational and spin transitions.  In the last decades theoretical tools have become available for computation of spectroscopic properties of single atoms and molecules, weakly interacting pairs of species, nano-sized systems like clusters and proteins and last but not least bulk matter. Each system bears its own difficulty for calculating the spectroscopic properties.  Modern theoretical techniques for the treatment of big (bio-)molecules, clusters, interaction-induced spectroscopy and also unusual properties will be presented and discussed.

Keynote Speakers:

E-mail addressess:  u.hohm@tu-bs.de,  claude.pouchan@univ-pau.fr, benoit.champagne@fundp.ac.be, and  maroulis@upatras.gr

Symposium 4

Title: Computational quantum chemistry: applications from the atomic to the nanoscale.

Organizer: George Maroulis, Department of Chemistry, University of Patras, GR-26500 Patras, Greece  
 

Description: Development of new computational methods, Benchmark calculations in small and medium sized atomic and molecular systems, accurate determination of molecular structures of molecules, electric properties of atoms, molecules and clusters.  

E-mail address: maroulis@upatras.gr

Symposium 5 

Title: "Protein-based Memory"

Organizer: Professor V. Renugopalakrishnan, Ph.D

Harvard Medical School, Children's Hospital, 300 Longwood Avenue, Boston, MA 02115, USA

Phone/Fax: 508-529-7013

Email address: bionanotechnology@charter.net

Symposium 6 

Title: "4th Symposium on Mathematical Chemistry"

Organizer: Dr. Sonja Nikolic, The Rugjer Boskovic Institute, Division of Physical Chemistry, Zagreb, Croatia

Email address: sonja@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.

This Symposium is dedicated in the honor of Professor Nenad Trinajstic on the occasion of his 70th birthday.

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@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

Title: "Computational approaches to supramolecular Chemistry"

Organizer: Jin Yong Lee, Department of Chemistry, Sungkyunkwan University, Korea

E-mail address: jinylee@skku.edu   

Co-Organizer: Manabu Sugimoto, Graduate School of Science and Technology, Kumamoto University, Japan

E-mail address: sugimoto@kumamoto-u.ac.jp

Description: Recent advances in synthetic methods and experimental techniques produced a number of interesting supramolecules and their functions. However, the detailed understanding for many of those functions is remained to be explained. In this connection, in this symposium, state-of-the-art computational approaches and methodologies will be discussed to in order to analyze and  understand supramolecular functions (related to the experiments).

Title:"Low-dimensional semiconductor systems"

Organizer: Aristides Zdetsis, Department of Physics, University of Patras, Greece

E-mail address: zdetsis@upatras.gr

Description: In contrast to macroscopic three-dimensional semiconductors (Si, Ge, GaAs, etc) low dimensional systems extend to less than three dimensions.  When one or more dimensions of a three-dimensional solid is (are) reduced to atomic scale (i.e.  nm), a low dimensional semiconductor is formed. Such reduced dimensionality system could be a thin film (2 dimensions), a chain or a wire (1 dimension), a nanocrystal or nanocluster (0 dimensions, “quantum dots”). The physical properties of a macroscopic material (semiconductor or not) are independent of its size. However, when one or dimensions of the material is made sufficiently small, the properties of the system (at least along the reduced dimension) ultimately depart from those in the bulk, with novel properties which evolve as a function of size. This could have tremendous implications in nanoscience nanotechnology for the design of materials with desired new properties (electronic, optical, and structural).  This is why this area of research is extremely important and active over the past few years and is expected to grow dramatically in the near future. Representative examples of such very active areas of research are interfaces, nanotubes , nanowires, nanocrystals and (nano)clusters.   

Keynote Speakers:

Title:"Computational Methods in Molecular Biology: Theory and Applications"

Organizer: Prof. Athanasios Tsakalidis, Department of Computer Engineering & Informatics, University of Patras, 26500 Patras, Greece AND Research Academic Computer Technology Institute, 61 Riga Feraiou str., 26221 Patras, Greece, Assist. Prof. Christos Makris, Department of Computer Engineering & Informatics, University of Patras, 26500 Patras, Greece

E-mail address: tsak@cti.gr, makri@ceid.upatras.gr

Description:

Computational Methods in Molecular Biology and Medicine provide important tools for solving many of the key problems in Bioinformatics including determining the function of a newly discovered genetic sequence; determining the evolutionary relationships among genes, proteins, and entire species, predicting the structure and function of proteins, classification of DNA and protein sequences, motif identification and many more. Due to the volume of biological data, computationally efficient techniques are sought to provide answers, exact or approximate, to the above problems. Moreover, given the diverse set of biological data, their exponential growth of biological data sets and the increasing need to share data, it is imperative for the bioinformatics community to envisage new means for data representations, storage and exchange. In order to address the need XML (Extensible Markup Language) appears as the prominent choice, hence providing the algorithmic community with challenging problems concerning the efficient handling of biological data expressed in XML.

The purpose of the proposed workshop, in the tradition of related workshops in the three previous ICCMSEs is to bring together scientists from different fields of expertise in order to discuss biological problems and propose new ideas and techniques in today's applications, in the areas of molecular biology, medicine and generally in the application of computational and indexing techniques.

Topics include, but are not limited to, the following: sequence storage and processing, protein databases, modelling and simulation of biological processes, mining for biological data, protein classification and clustering, tools and applications, XML for Bioinformatics applications.

Program Committee:

Symposium 11

Title:"3^rd Symposium on Industrial and Environmental Case Studies"

Organizer: Prof. Fragiskos Batzias, Vice Head of the Department of Industrial Management & Technology at the University of Piraeus; Karaoli & Dimitrioy 80, 18534, Piraeus, Greece;  

E-mail address: fbatzi@unipi.gr; csiontor@unipi.gr

Description:

This Symposium appeared for the first time within ICCMSE 2004 and continued within ICCMSE 2005 with considerable success (more than 50% increase of the papers presented). 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.

Title:"Artificial Neural Network Computational Approaches in Materials Science and Engineering"

Organizer: Dr. S. Malinov, The Queen's University of Belfast, School of Mechanical and Aerospace Engineering, Ashby Building, Stranmillis Road, Belfast BT9 5AH, UK;  

E-mail address: s.malinov@qub.ac.uk

tel. +44-28-90974312, fax +44-28-90661729

Symposium 13

Dedicated to Professor A.D.Bucknigham in recognition of his contribution to the field

Organizer: Dr. M. G. Papadopoulos

 Session A:"Linear and non-linear optical properties for condensed phases"

Organizers: Dr. H. Reis and Dr. M. G. Papadopoulos, Institute of Organic and Pharmaceutical Chemistry, National Hellenic Research Foundation, 48 Vas. Constantinou Ave., Athens 116 35, Greece;  

E-mail address: hreis@eie.gr and mpapad@eie.gr

Description:  

There is a continued interest in the theoretical modelling of nonlinear optical processes, fuelled for example by highly promising prospective applications in telecommunications and optical storage systems. A wealth of computational tools exists for isolated molecule studies, but reliable techniques to attack the problem of nonlinear optical response of condensed phases are still rather limited, although the decisive influence of the molecular environment on the nonlinear optical properties is well recognized. This symposium will focus on current applications and new developments of dielectric continuum models, discrete
local field methods and density functional theory approaches to periodic solids to compute the nonlinear optical properties of condensed phases.

 Session B:"Computation of the linear and nonlinear optical properties of molecules: recent developments"

Organizer: Dr. M. G. Papadopoulos and Dr. A. Avramopoulos, Institute of Organic and Pharmaceutical Chemistry, National Hellenic Research Foundation, 48 Vas. Constantinou Ave., Athens 116 35, Greece;  

E-mail address: mpapad@eie.gr and aavram@eie.gr

Description:  

This Symposium will focus on recently reported techniques for the calculation of the linear and nonlinear optical properties of molecules as well as on interesting applications, which help to improve our understanding of these properties.

Keynote Speaker:

It is included in 13 now

Title:"Vedene Smith memorial symposium"

Organizer: Prof. Ajit J. Thakkar, Department of Chemistry, University of New Brunswick, Fredericton, NB E3B 6E2, Canada;  

E-mail address: ajit@unb.ca

Information:

http://www.unb.ca/chem/ajit/denf.htm 

Title:"Modeling of molecular and chiral recognition by cyclodextrins"

Organizer: Prof. Helena Dodziuk, Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warsaw, Kasprzaka 44/52, Poland
Fax: (48)-(22)-343-3333,

URL: http://ichf.edu.pl/person/dodziuk.htm;  

E-mail address: dodziuk@ichf.edu.pl

Description:
 Cyclodextrin complexes are until now the only group of supramolecular complexes which has found numerous applications in pharmaceutical, food, dying and cleaning industries, in agrochemistry, cosmetics, etc. Therefore, modeling the complex formation is not only of theoretical but also of practical importance. In particular, determination of relative stability of diastereomeric cyclodextrin complexes with enantiomers of drugs is of great value for pharmaceutical industry in view of their different biological activity and possible side effects of the second enantiomer of the drug. Accuracy and limitations of various methods used to model molecular and chiral recognition by cyclodextrins need to be assessed in view of complexity of these molecules and that of their complexes. The symposium aims at both specialists in the field and experimentalists who want to reliably apply modeling to extend their studies using chromatography and other techniques.  

Title:"Advances in Hydogen Bond Research"

Organizer: Professor Marek J. Wojcik, Laboratory of Molecular Spectroscopy, Faculty of Chemistry, Jagiellonian University, 30-060 Krakow, Ingardena 3, Poland.

Phone: +48 12 663 2913, Fax: +48 12 634 0515, URL: http://www.chemia.uj.edu.pl/~wojcik ;  

E-mail address: wojcik@chemia.uj.edu.pl

Description:
 Hydrogen bond plays crucial role in many areas of physics, chemistry and biology. There is a vivid research going in this area of science. The aim of this symposium is to gather leading scientists working in spectroscopic and computational aspects of hydrogen-bonded systems to share their knowledge on the state-of-the-art in this important branch of science, to present their recent scientific work, to get acquainted, to discuss matters of common interest, and to make future collaboration possible.

Title:"Computational Electronics: Physical Modeling, Mathematical Theory, and Numerical Algorithm"

Organizer: Prof. Dr. Yiming Li, Department of Communication Engineering, National Chiao Tung University, Hsinchu 300, Taiwan;  

E-mail address: ymli@mail.nctu.edu.tw

Description:
This symposium is an open forum for discussion on the current trends and future directions of physical modeling, mathematical theory, and numerical algorithm in electronics. The goal is for computational scientists and engineers, computer scientists, applied mathematicians, physicists, and researchers to present their recent advances, ideas, results and to exchange experience in the areas of modeling, simulation, optimization and other support for  problems in electronics. We welcome contributions from researchers of academia and industry.

Topics of interest include, but are not limited to:

Symposium 19

Title: "Computational Methods in Chemical Engineering"

Organizer: Dr. George D. Verros, Member of ESCMSE, Department Of Electrical Engineering, Technological & Educational Institute (TEI) of Lamia, 35100 Lamia, Greece.

E-mail address: gdverros@otenet.gr

Symposium 20

Title: "Computational methods based on statistical mechanics for complex systems"

Organizers: Profs. Joonkyung Jang+ and Jaeyoung Sung*
+Department of Nanomaterials Engineering, Pusan National University, Samnangjin-eup, Miryang 627-706, Korea, Tel: +82-55-350-5277, Fax: +82-55-350-5459, email: jkjang@pusan.ac.kr
*Department of Chemistry, Chung-Ang University, Seoul 156-756 Korea, Tel: +82-2-820-5240, Fax: +82-2-825-4736, email: Jaeyoung@cau.ac.kr 

Description:

This session overviews novel computational methods based on statistical mechanical theories to investigate complex systems that do not easily yield to brute force computation. Topics of interest include, without being limited to, prediction methods for transport-coupled reaction dynamics and reaction kinetics in complex biological environment; efficient methods for estimating free energy change of a molecular system in condensed phase; and quantitative analysis methods for a single-molecule reaction dynamics and spectroscopy. Also presented are cutting-edge simulation methods for complex dynamical problems such as molecular self assembly, thin-film and crystal growth, and non-equilibrium pattern formation.