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International Conference of Computational Methods in Sciences and Engineering

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Leaflet of ICCMSE 2007


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. More information in here



ICCMSE 2007 is co-sponsored

by the American Chemical Society (ACS)




URGENT Announcement of 13/9/2007



The Organizing Committee of ICCMSE 2007 is from 13/9/2007 at Hotel Marbella. PLEASE FROM NOW ON USE ONLY THE E-MAIL: tsimos.conf@gmail.com  Please DO NOT use the e-mail: tsimos@mail.ariadne-t.gr






Preliminary Program of ICCMSE 2007



                     Book of Short Abstracts for ICCMSE 2007




URGENT Announcement of 9/9/2007

Hotel Marbella has informed us that the participants of ICCMSE 2007 must book their room until 14/9/2007.


Please book your room as soonest as possible.




Announcement of 21/8/2007


Due to a big number of requests we accept late papers until 12/9/2007


The participants must send:


  1. A 1/2 A4 page abstract

  2. A 3-4 A4 pages short paper

  3. The AIP Copyright Transfer Agreement (signed by INK, scanned and submitted via e-mail)

  4. The publication of the papers in a Volume of AIP for Late Papers is dependent on the result of the international peer review procedure





Announcement of 15/8/2007

for the participants which have used ONLY the e-mail tsimos@mail.ariadne-t.gr WITHOUT a carbon copy to tsimos.conf@gmail.com

Attention: Due to problems with the server of tsimos@mail.ariadne-t.gr, please resubmit all the e-mails (after 14/8/2007) to tsimos@mail.ariadne-t.gr with a carbon copy to tsimos.conf@gmail.com. If you have already submitted the messages to tsimos@mail.ariadne-t.gr with a carbon copy to tsimos.conf@gmail.com then, please ignore this announcement  






New deadline for the submission of papers:

September 1, 2007



Dear friends and Colleagues


In the last few days we have been driven to reconsider the extension of the deadline for the submission of papers. Our rethinking of an extension has been motivated by three major points.



There is considerable interest in joining the Conference by scientists who have missed the opportunity to do so in time.


People who have already expressed interest and even registered have not had the time to prepare their papers.


Most important, the American Institute of Physics (AIP) will not accept papers without a signed Copyright Transfer Agreement (CTA). Rather unfortunately, an impressive number of CTA are still missing. This nearly cripples our efforts to present high level Lectures and Proceedings Volumes this year. We would be forced to discard a very high percentage of the accepted papers.


To facilitate things for all, we have decided to extend the deadline for the submission of papers. Unavoidably, the two books will not be distributed during the Conference but will be sent directly to all participants during the months of October-November 2007. We do hope that this move will allow all of us to face our obligations in the best possible manner.


With our best wishes


T.E.Simos and G.Maroulis     



Due to reasons explained in the above announcement we have changed the dates of ICCMSE 2007 as follows:


Submission Deadline: 1/9/2007


Notification of acceptance 9-10/9/2007

Submission of the camera ready papers: 13/9/2007

Payment of the fees (for developing countries): 15/9/2007

Submission of the material to AIP: 20/9/2007








Urgent Announcement of 3/8/2007


Based on our experience, we inform the participants of ICCMSE 2007 that if they haven't sent together with the Source files of the CAMERA READY Form of their paper, the Scanned Signed by INK AIP Copyright Transfer Agreement, their paper WILL NOT be published by AIP




Urgent Announcement of 15/7/2007

All the participants of ICCMSE 2007 must send the following material:


1) Source files of their paper based on the guidelines and template and style files of this Web Page

2) SCANNED SIGNED BY INK AIP Copyright Transfer Agreement


The above material must be send either to (please don't send copies to both directions) :



The Symposia's Organizers (if their paper belongs to a Symposium of ICCMSE 2007) OR



To Professor Dr. T.E. Simos

(To the e-mail addresses tsimos@mail.ariadne-t.gr with carbon copy to tsimos.conf@gmail.com) if their paper DO NOT belongs to a Symposium of ICCMSE 2007


Please send a SCANNED SIGNED BY INK AIP Copyright Transfer Agreement to the e-mail addresses described above (even in the case you had sent the AIP Copyright Transfer Agreement via fax)






Announcement of 30/6/2007
Attention: Please send your AIP Copyright Transfer Agreement via e-mail to the e-mail addresses tsimos@mail.ariadne-t.gr with carbon copy to tsimos.conf@gmail.com (i.e. SCANNED SIGNED BY INK AIP Copyright Transfer Agreement)



Announcement of 30/5/2007

for the participants which have used ONLY the e-mail tsimos@mail.ariadne-t.gr WITHOUT a carbon copy to tsimos.conf@gmail.com

Attention: Due to problems with the server of tsimos@mail.ariadne-t.gr, please resubmit all the e-mails to tsimos@mail.ariadne-t.gr with a carbon copy to tsimos.conf@gmail.com. If you have already submitted the messages to tsimos@mail.ariadne-t.gr with a carbon copy to tsimos.conf@gmail.com then, please ignore this announcement  




Young Scientist Excellence Award for ICCMSE 2006

(Chania, Crete, Greece)

We are happy to announce that the recipients of the ICCMSE 2006 prize are


Nicola Gaston (Dresden)

Ab initio correlation calculations for the lattice structures of Zn, Cd, and Hg


Philippe Carbonnière (Pau)

Anharmonic calculation of vibrational spectra for P4O6 and P4O10 systems


Thomas S. Hofer (Innsbruck)

The hydration structure of Pd(II) in aqueous solution obtained from a QMCF MD simulation


Panaghiotis Karamanis (Pau)

Structure and polarizability of small (GaAs)n clusters (n= 2, 3, 4, 5, 6, and 8)





Prof. T. E. Simos

Laboratory of Computational Sciences,

Department of Computer Science and Technology,

University of Peloponnese,

GR-221 00 Tripolis



Professor George Maroulis

Computational Quantum Chemistry Research Group
Department of Chemistry

University of Patras

GR-26500 Patras







Highlighted Lectures for ICCMSE 2007 so far:


Reinhart Ahlrichs
University of Karlsruhe

N.Y. Öhrn
University of Florida


Henry F. Schaefer III
University of Georgia


Highlighted Keynote Lecture

Left Handed Metamaterials: A New Frontier In Optics?

by E. N. Economou

Department of Physics, University of Crete, and Foundation for Research & Technology – Hellas (FORTH), Heraklio, Crete, Greece


Sessions and Symposia for ICCMSE 2007



Highlighted Symposia for ICCMSE 2007


First Highlighted Symposium


 Modern electronic structure theory and its applications: A symposium in honor of

Professor Rodney J. Bartlett



Ajit J. Thakkar

University of New Brunswick



George Maroulis

University of Patras


Kazuaki J. Murakami


Computing and Communications Center,

Department of Informatics, Kyushu University, Japan



URL Address of the Sympsosium:

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.


The Symposium includes a special session entitled Interaction and exchange of ideas between Computer Science and Computational Chemistry

List of Speakers (so far)

  1. H.Schaefer                                                                                          
  2. L.Cederbaum                                                                         
  3. D.Mukherjee                                                   
  4. P.Fowler                                                                    
  5. F.Wang                                                                      
  6. J.L.Dejardin                                                               
  7. K.Lucas                                                                     
  8. J.P.Malrieu                                                      
  9. D.Salahub                                                                   
  10. Y.Aoki                                                                       
  11. J.Autschbach                                                              
  12. C.V.Ciobanu                                                              
  13. P.Norman                                                                  
  14. P.Calaminici                                                               
  15. A.Toro-Labbé                                                            
  16. J.J.Kohanoff                                                               
  17. H.Vach                                                                      
  18. T.Bancewicz                                                               
  19. S.Pal                                                               
  20. S.Koseki                                                                    
  21. H.Sekino                                                                    
  22. J.McDouall                                                                  
  23. S.Picaud                                                                     
  24. X.Assfeld                                                                   
  25. M.G.Papadopoulos                                                    
  26. K.Hirao
  27. J.Talman
  28. K.Raghavachari
  29. M.Nakano                                                                  
  30. Y.Dahnovsky
  31. A.Mylona-Kosma                                                       
  32. C.Pouchan                                                                  
  33. Young Kee Kang
  34. O.Ouamerali                                                                
  35. I.Lindgren                                                                    
  36. A.Largo                                                                      
  37. G.Shields
  38. Kazuaki Murakami                                                      
  39. Takashi Nanri                                                              
  40. Hiroaki Honda
  41. Yunqing Yu
  42. Feng Long Gu                                                             
  43. Guilheime Domingues
  44. Kensuke Baba
  45. Anna Pomogaeva                                                        
  46. Jian Wan         
  47. Xin Xu
  48. Silvia Morante                                                             
  49. Marcin Makowski                                                       
  50. Pilar Redondo                                                             
  51. Toshiya Takami                                                           
  52. Ajith Perera     
  53. Jim Greer
  54. Andrew Taube                                                            
  55. M.Mestechkin                                                             
  56. J.Harrison        
  57. P.Karamanis                                                                
  58. D.Begue                                                                      
  59. V.Daskalakis                                                               
  60. L.Largo                                                                       
  61. W.Glaz                                                            
  62. U.Hohm                                                                      


Second Highlighted Symposium

Quantum Molecular Response and Reaction Dynamics: Theory and Computations: A symposium in honor of N. Yngve Öhrn



Frank Harris,

University of Florida


Jonh R. Sabin,

University of Florida


URL Address of the Sympsosium:



The symposium will be focused on areas of research exemplified in the career of Professor Öhrn: Nonadiabatic approaches to reactive atomic and molecular processes; dynamics without potential energy surfaces; alternative descriptions of time dependent phenomena; propagator methods and response properties.



Invited Speakers


Lorenz S. Cederbaum, Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Germany


E. N. Economou, Department of Physics, University of Crete, and Foundation for Research & Technology – Hellas (FORTH), Heraklio, Crete, Greece


Marcus Elstner, Technical University of Braunschweig, Germany


Patrick W. Fowler, University of Sheffield, UK


Pavel HOBZA, Academy of Sciences of the Czech Republic, Inst. of Organic Chemistry & Biochemistry, CZ-16610 Prague 6, Czech Republic


Shashi KARNA, US Army Research Laboratory, Aberdeen Proving Ground, MD 21005-5069, USA


Christoph H. Keitel, Director, Max Planck Institute for Nuclear Physics, Heidelberg, Germany


Klaus Lucas, Lehrstuhl für Technische Thermodynamik, der RWTH-Aachen, D-52056 Aachen, Germany


J.P.Malrieu, Universite Paul Sabatier, Toulouse, France


Debashis Mukherjee, Director, Indian Association for the Cultivation, of Science, Jadavpur, Kolkata 700032, INDIA


Kazuaki J. Murakami, Director of Computing and Communications Center, Professor of Department of Informatics, Kyushu University, Japan


Cleanthes A. Nicolaides, National Technical University Athens, Greece


Koji OHTA, Osaka National research Institute, Osaka, Japan
Dennis Salahub, University of Calgary, Canada


Feng Wang, Swinburne University of Technology, Australia


Francesco Zerbetto, Bologna University, Italy

Keynote Speakers


Xavier Assfeld, Chimie et Biochimie Théoriques, UMR 7565, BP 239, Faculté des Sciences et Techniques, France


Jochen Autschbach, State University of New York at Buffalo, USA


T. Bancewicz, Nonlinear Optics Division, Institute of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan, Poland


Cristian V. Ciobanu, Colorado School of Mines


Patrick Norman, Linköping University, Sweden


Alejandro Toro-Labbé, Pontificia Universidad Católica de Chile


Patrizia Calaminici, CINVESTAV, Mexico


Yuriko Aoki, Department of Material Sciences, Faculty of Engineering Sciences, Kyushu University, Japan


Jorge J. Kohanoff, Atomistic Simulation Centre, School of Mathematics and Physics, The Queen's University of Belfast, Belfast BT7 1NN, Northern Ireland (UK)


Shiro Koseki, Department of Chemistry, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai
Jorge Alberto Morales, Department of Chemistry, Texas Tech University, USA


Joe McDouall, School of Chemistry, The University of Manchester, Manchester M13 9PL, UK


Leticia Gonzalez, Institute of Chemistry and Biochemistry – Physical and Theoretical Chemistry, Free University of Berlin, Germany


Manfred Lein, Physics Department, University of Kassel, Germany


Sourav Pal, Physical Chemistry Division, National Chemical Laboratory, Pune 411008, India


M. G. Papadopoulos, Institute of Organic and Pharmaceutical Chemistry, National Hellenic Research Foundation, Greece


Sylvain Picaud, Institut UTINAM - UMR CNRS 6213, Universite de Franche-Comte, Faculte des Sciences et Techniques, France


S. RAMASESHA, Solid State & Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India


Antonio RIZZO, Istituto per i Processi Chimico-Fisici (IPCF), Consiglio Nazionale delle Ricerche (CNR), I-56124 Pisa, Italy


Luis Serrano-Andrés, Valencia University, Spain


Hideo Sekino, Toyohashi University of Technology, Japan


Holger Vach, LPICM, Ecole Polytechnique, CNRS, 91128 Palaiseau, France


Yasunori YOSHIOKA, Chemistry Department, Faculty of Engineering, Mie University, Kurimamachiya, Tsu,Japan


Claudio Zannoni, Bologna University, Italy


Best Student Paper Award(s)

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.




Hotel Marbella (Agios Ioannis Peristeron), Corfu, Greece , 25 - 30 September 2007)


The aim of ICCMSE 2007 is to bring together computational
scientists and engineers from several disciplines in order to share methods, methologies and ideas.

Under the Auspices of

bullet European Society of Computational Methods in Sciences and Engineering (ESCMSE)

Dates of Importance

bulletDates for Registration  
bullet Notification of acceptance
bullet Submission of full papers. more ...