Third European Conference on Computational Chemistry
4-8 September 2000
 |
Organized by: Working Party on Computational Chemistry (WPCC) of the Federation of European Chemical Societies (FECS) Hosted by: Hungarian Chemical Society Sponsored by: European Commission, Research DG, Human Potential Programme, High Level Scientific Conferences (Contract No: HPCF-CT-1999-00056), European Commission, Confirming the international role of Community research, Conference Participation Support (Contract No: ICA-CT-1999-60020), COST D9 Action "Advanced Computational Chemistry of Increasingly Complex Systems" and Hungarian Ministry of Education, Department for Research and Development (Contract No: 0075/00)
Related conferences/meetings:
The following three conferences are held geographically close to Budapest and right before or after EUCO-CC3:
- Symposium on Biological Chirality, 27-31 August, Szeged, Hungary
- 36. Symposium für Theoretische Chemie, 10-14 September, Litschau, Austria
- Mini-Workshop: Statistical Mechanics of Complex Systems, 27 August - 2 September, Bled, Slovenia
Venue
The Conference will be held in Budapest, 4-8 September, 2000. Budapest is the capital of Hungary. Its beautiful harmony is primarily due to the advantageous geographical location on the river Danube.The conference will take place at the new campus of the Loránd Eötvös University. It is located in Buda, between the Petôfi bridge and the newest bridge of Budapest (Lágymányosi bridge). The address is: XI. district, Pázmány Péter sétány 1/A. Use the entrance on the Duna side. The campus can be reached by tram lines 4 and 6, as well as by bus number 12. The station is called Goldman György tér. This is the abutment of Petôfi bridge in Buda. Walk through the park and follow the signs.
Budapest Airport can be reached by nonstop flights from most major European cities and New York.
Map:
Click here to see a map about the neighbourhood of the campus. You can reach a searchable map of Budapest on the following website: http://www.fsz.bme.hu/hungary/budapest/cgi-bin/search. This map shows the public transportation, as well.Conference Scope
The Third European Conference on Computational Chemistry (EUCO-CC3) follows previous meetings held in Nancy, France (1994) and Lisbon, Portugal (1997). The scope of EUCO-CC3 will be open to all aspects of research on computational chemistry.Focal Points:
- Methodology
- Chemical Structure and Reactivity
- Spectroscopy and Photochemistry
- Condensed Phases and Surfaces
- Biopolymers and Drug Design
Invited Speakers
| Methodology | |
|---|---|
| W. Thiel (Zurich, Switzerland) | QM/MM methods |
| M.V. Basilevsky (Moscow, Russia) | Collective medium effects |
| H. Lischka (Vienna, Austria) | Parallel codes for electron correlation |
| Á. Nagy (Debrecen, Hungary) | Density functional methods |
| Chemical Structure and Reactivity | |
| D. Cremer (Göteborg, Sweden) | Organic reactions |
| A. Lagana (Perugia, Italy) | Computational tools and detailed reaction dynamics |
| P. Hobza (Prague, Czech Republic) | Molecular Complexes |
| A. Stanger (Haifa, Israel) | Highly strained organic molecules |
| H. Zipse (Munich, Germany) | Organic reactivity |
| Spectroscopy and Photochemistry | |
| J. Gauss (Mainz, Germany) | Electron correlation and excited states |
| G. Balint-Kurti (Bristol, United Kingdom) | Photodissociation |
| J.-P. Malrieu (Toulouse, France) | Highly correlated materials |
| P. Surján (Budapest, Hungary) | Excited states in fullerenes |
| J. Teixeira Dias (Aveiro, Portugal) | Spectroscopy and quantum methods |
| Condensed Phases and Surfaces | |
| R. Ahlrichs (Karlsruhe, Germany) | Metal clusters |
| P.A. Madden (Oxford, United Kingdom) | Computer simulation of material properties |
| P. Geerlings (Brussels, Belgium) | Non-Empirical Quantum Chemical Prediction of Henry Constants and Derived Properties in Faujasite Type Zeolites |
| J. Sauer (Berlin, Germany) | Zeolites |
| R.A. van Santen (Eindhoven, NL) | Zeolite catalysis |
| Biopolymers and Drug Design | |
| J. Aqvist (Uppsala, Sweden) | Protein-ligand energetics |
| G. Wipff (Strasbourg, France) | Ion extraction and liquid-liquid interfaces |
| H. Kubinyi (Ludwigshafen, Germany) | Drug design |
| M. Orozco (Barcelona, Spain) | Biomolecules |
| W.A. Sokalski (Wroclaw, Poland) | Protein electrostatics |
Registration fee
The conference registration fee includes the following:- Admission to all scientific sessions
- Congress documents (programme, book of abstracts, list of participants)
- Coffee at breaks
- Lunches
- Welcome party
- Conference dinner
- Excursion
| before June 30: | 350 euro for members of FECS Societies |
|---|---|
| 400 euro otherwise | |
| after June 30: | 400 and 450 euro (respectively) |
| accompanying persons: | 100 euro |
Payment
Bank transfer to:
ABN-AMRO Bank Rt. Budapest 10200830-32310157
Indicate "MKE EUCO-CC3" and your name
Eurocheque, Visa, Eurocard/MasterCard, American Express
Registration
Participants may register by sending back the registration form. It is enclosed with the second circular and can also be downloaded from here.
Forms should be sent to the address of the Hungarian Chemical Society:
H-1027 Budapest, Fő u. 68.
Click here to download the REGISTRATION FORM ( MS Word doc , pdf format).
Scientific Programme
The conference programme will include 23 invited lectures, 26 contributed oral papers and poster presentations.
Click here to see the detailed programme.
Posters
Poster presentations are displayed in the Aula close to the lecture hall on the ground floor. Size of the posters: maximum A0 (0.80x1.20 m). Two poster sessions are scheduled and presenters must present their posters as follows:
SESSION 1: Methodology, Chemical Structure and Reactivity
Tuesday - 17:00-18:30
Posters should be mounted on Monday morning
Posters should be removed at the end of the viewing session
SESSION 2: Spectroscopy and Photochemistry, Condensed Phases and Surfaces,
Biopolymers and Drug Design
Thursday - 17:30-19:00
Posters should be mounted between 8:00 and 9:00 on Wednesday morning
Posters should be removed at the end of the viewing session
A book of abstracts will be produced.
Social Programme
| Welcome Reception: | Sunday (3rd September), 18:30 at the conference site |
| Accompanying persons: | meet Tuesday (5th September), 9:15 a.m. at the conference site |
| for a sightseeing tour in Budapest | |
| Conference Dinner: | Wednesday (6th September), evening 19:00 |
| Excursion: | Friday (8th September), 14:00, Szentendre, Open Air Museum (Skanzen) |
Proceedings
A collection of the contributed papers presented at EUCO-CC3 will be published as a special issue of the International Journal of Quantum Chemistry (IJQC). This special issue will be edited by Dr. G. G. Ferenczy and Dr. G. M. Keserű. In addition a collection of invited lectures at EUCO-CC3 will be published in a special issue of PCCP (Physical Chemistry - Chemical Physics), which is a new journal of the European Chemical Societies. The presentation of the accepted papers at the conference is a necessary condition for inclusion in the proceedings. Papers are due at the conference.Manuscripts
Authors may hand in their manuscripts at the Registration/Information Desk.Special Measures
Grant for young participants:Thanks to a EU support, the Organising Committee can provide grants for young participants in three categories:
- registration fee
- travel costs
- subsistence
| Limitations: | under 35 years (according to EU regulations) |
| only for persons from countries of EU and associated states |
Accommodation, Hotel and Programmes Booking
Hotels of various categories and several dormitories are available near the conference site. The famous hot springs in Budapest and in the countryside provide good recreation facilities. Budapest, with a population of about two million, has an excellent public transportation system.
A "Hotel and Programmes Booking Form" together with the related information on hotels and programmes will be enclosed with the second circular and can also be downloaded from here.
Forms should be sent to the following address:
Congress Department
H-1051 Budapest, Vörösmarty tér 1.
Position Number: 0300/06
Phone: +36 1 327 4317, +36 1 327 4318
Fax: +36 1 327 4397
e-mail: koczka@budwelco.hu
Click here to download the HOTEL AND PROGRAMMES BOOKING FORM ( MS Word doc , pdf format).
Call for Papers / Abstract Submission
Attention: the abstract submission deadline is over but late abstracts for posters are welcome. Note however, that inclusion in the book of abstracts is not garanteed.One page abstracts should be submitted by 1 March, 2000 .
The new deadline is in accord with the deadline for application for
grants to young participants (see below).
All abstracts will be refereed.
Authors are asked to observe the following criteria:
- The name of the speaker or poster presenter should be clearly indicated. The name of the Main Author should be underlined, and the name of the presenter should be marked with an asterisk (*).
- Abstracts should not be folded and should be typed in English using not less than 1.5 line spacing on white paper.
- The preferred font should be Arial, Avant Garde, Courier, Helvetica or Times New Roman.
- The preferred font size should be 12 point.
- The whole of the abstract must be contained within a rectangle of size 23 cm HIGH x 16.5 cm WIDE (9 x 6.5 inches) in portrait layout. References, figures and by-lines must appear together with the abstract, inside this area.
- Beneath and outside of the area defined above, please indicate
- the name and mailing address (including FAX number and e-mail address) of the author to whom future correspondence should be sent;
- a letter P or O denote a preference for poster or oral presentation;
- the number of focal point which best fits your abstract.
- References, denoted by superscript numbers in the text, should be listed at the end of the text using standard Chemical Abstracts Source Service Index (CASSI) terminology followed by YEAR, VOLUME, PAGE.
- Abstracts should be submitted both in printed and in electronic forms. Printed abstracts should be submitted in triplicate to the following address:
| EUCO-CC3 |
| Gedeon Richter Ltd. |
| H-1475 Budapest, POB 27 |
| Hungary |
Main Deadlines
| Discounted registration fee: | 30 June 2000 |
Registration/Information Desk
The Registration/Information Desk is located close to the Conference Hall. On Sunday 3 September it will be open 16:00-19:00. The Desk will be open during the conference.Trade Exhibition
During the conference there will be an opportunity for companies to show their products related to computational chemistry.Click here to download the TRADE EXHIBITION FORM ( MS Word rtf , pdf format).
Contact Details
Mail:
c/o EUCO-CC3Loránd Eötvös University
H-1518 Budapest, P.O.Box 32
Hungary
Email:
Email facilities are provided in the Chemistry Department.Badges:
All participants and guests will be issued with name badges, which for security reasons, should be worn all times during the conference.MAILING ADDRESSES:
Abstracts:
EUCO-CC3, Gedeon Richter Ltd.H-1475 Budapest, POB 27, Hungary,
eucocc3@para.chem.elte.hu
Scientific Matters:
Professor Gábor Náray-Szabó, Conference ChairpersonDept. Theor. Chem. Eötvös University
H-1518 Budapest, POB 32, FAX +36 1 209 0602
Participation Fee and Accommodation:
Hungarian Chemical SocietyH-1027 Budapest, Fő u. 68. Phone: +36 1 201 6883/ FAX 201 8056
mail2.mke@mtesz.hu
Other matters:
EUCO-CC3, Eötvös UniversityH-1518 Budapest, POB 32, FAX +36 1 209 0602
eucocc3@para.chem.elte.hu
YOU CAN BE CONTACTED DURING THE CONFERENCE:
| Postal address: | c/o EUCO-CC3 Eötvös University, H-1518 P.O.Box 32 |
| Mail delivery: | c/o EUCO-CC3 Eötvös University, |
| H-1117 Budapest, Pázmány P. sétány 1/A | |
| Fax: | +36-1-2090602 (indicate: EUCO-CC3) |
| e-mail: | eucocc3@para.chem.elte.hu |
| (the e-mail will be printed and passed to you) |
Internet
We plan to provide Internet access for the participants during the conference.Arriving to Budapest
by air:
you arrive to Ferihegy Airport terminal 2A or 2B. The Airport Authority (LRI) runs a minibus service to any address in the city for 1500 Forints. You simply state your destination at the minibus desk. This is the best way to get to the city. There is also an airport bus to and from the Erzsébet Square bus station in the city center. This service leaves every thirty minutes from 05.30-21.00, stops at both terminals, and costs 600 Forints. You can buy tickets on the bus. The cheapest way is to take the public transportation: you can take an express bus which takes you to the underground (called metro) terminus. You need a 95-Forint ticket to travel on the bus, which can be bought at vending machines at the bus stops. The best place to get off is probably Deák tér, where all three underground lines meet, and where you can change to several buses and tram lines.
by train:
there are three main railway stations in Budapest (Keleti Pu., Nyugati Pu., and Déli Pu.). The underground stops at all three so that you can reach easily any point in Budapest by the public transportation.
by car:
count on heavy traffic during the week. There is plenty of free parking place available at the University. Otherwise you have to pay for parking in the center of the city. Please ask for information on parking at your hotel.
Emergency phone
If you run into any kind of trouble, you can always reach us on the following cellular phone: 06-20-337-17-87Currency
The Hungarian currency is Forint (Ft or HUF). One Euro equals about 260 Forint. You can change at the airport, at the hotels or at the numerous banks.Special Diet
Please give advance notice for special diets to the organisers.Useful Links
Air travel: http://www.malev.hu/ew/angol/default.aspTrain: http://bahn.hafas.de/bin/detect.exe/bin/query.exe/en
Map: http://lazarus.elte.hu/hun/maps/lagym.gif
Budapest: http://www.fsz.bme.hu/hungary/budapest/cgi-bin/search
http://www.fsz.bme.hu/hungary/budapest/bplinks/newpages/tourism.html
http://www.irisz.hu/cam/
http://www.szentendre.hu/kepnez/kepek150.html
http://www.szentendre.hu/vendega.html
Scientific Committee
| G. Náray-Szabó (Chairperson) | Hungary |
| Y. Apeloig | Israel |
| F. Bernardi | Italy |
| T. Brinck | Sweden |
| I. Cernusak | Slovak Republic |
| F. Fernandes | Portugal |
| N. Fitzpatrick | Ireland |
| J. Gasteiger | Germany |
| W. Gunsteren | Switzerland |
| Z. Hippe | Poland |
| L. Laaksonen | Finland |
| K. Mikkelsen | Denmark |
| P. Nachtigall | Czech Republic |
| M. Robb | United Kingdom |
| J. Bertran | Spain |
| E. Soulie | France |
| K. Varmuza | Austria |
| J. Zupan | Slovenia |
Organising Committee
| P. G. Szalay (Chairperson) | Hungary |
| K. Kádas (Co-Chairperson) | Hungary |
| G. I. Csonka | Hungary |
| G. G. Ferenczy | Hungary |
| G. M. Keserû | Hungary |
Associated States
Bulgaria, the Czech Republic, the Republic of Cyprus, Estonia, Hungary, Iceland, Israel, Latvia, Liechtenstein, Lithuania, Norway, Poland, Romania, Slovakia and Slovenia.This page is maintained by Krisztina Kádas