XVI. Quantum Reactive Scattering

Workshop

4-9 September 2022, Balatonföldvár, Hungary



General Information

The Workshop will start on Sunday, September 4 in the evening and end on September 9, Friday morning.

The number of participants is limited to 50 people. Registration will be accepted on a first come, first served basis.

Registration deadline: August 1, 2022 or earlier if the limit of 50 participants is attained.

The total cost will be 165,000 HUF (~400 EUR) in single and 145,000 HUF (~360 EUR) in double room, all inclusive.

Participants can pay the fee by bank transfer or by credit card at the site.


CONFERENCE HISTORY

Quantum Reactive Scattering Workshop is a series of conferences initiated by David Clary in 1990.
Previous editions

•1990 Cambridge, UK, David Clary (chair)

•1994 Cambridge, Massachusetts, USA, Yan Sun and Michael Baer (chairs)

•1995 Nottingham, UK, David Clary and David Manolopoulos (chairs)

•1997 Telluride, Colorado, USA, Joel Bowman (chair)

•1999 Perugia, Italy, Vincenzo Aquilanti and Antonio Laganŕ (chairs)

•2001 Pasadena, California, USA, Aron Kuppermann (chair)

•2003 San Lorenzo de El Escorial, Spain, Javier Aoiz and Luis Bańares (chairs)

•2005 Santa Cruz, California, USA, Millard Alexander and Anne McCoy (chairs)

•2007 Cambridge, UK, Stuart Althorpe (chair)

•2009 Dalian, China, Dong-Hui Zhang and Ke-Li Han (chairs)

•2011 Santa Fe, New Mexico, USA, Hua Guo (chair)

•2013 Bordeaux, France, Laurent Bonnet and Pascal Larregaray (chairs)

•2015 Salamanca, Spain, Octavio Roncero, Tomás González-Lezana, Susana Gómez-Carrasco, Lola González-Sánchez

•2017 Trieste, Italy, Niyazi Bulut, Noelia Faginas Lago Andrea Lombardi,Federico Palazzetti

•2019 Saitama, Japan, Toshiyuki Takayanagi (chair)

TOPICS

• Gas-phase elementary reactions

• Theoretical reaction dynamics

• Quantum mechanical methods

Semiclassical approaches

• Stereodynamics

• Polyatomic reaction dynamics

• Theory of non-adiabatic processes

• Electronic, vibrational and rotational spectroscopy

• Potential energy surfaces

• Reactions at low and ultra-low temperatures

• Gas-surface reactions

• Theoretical methods in astrochemistry

ORGANIZERS

György Lendvay1,2 (Chair)

Gabriella Lendvayné Győrik1

Ákos Bencsura1

1 Institute of Materials and Environmental Chemistry, Research Center for Natural Sciences
   Magyar tudósok krt.
2. Budapest, 1117 Hungary

2 Center for Natural Sciences, Faculty of Engineering, University of Pannonia
   Egyetem u. 10., Veszpr
ém 8200, Hungary


LIST OF PARTICIPANTS

Babikov, Dmitri

Milwaukee, WI

USA

Connor, Jonathan N.L.

Manchester

UK

Császár, Attila

Budapest

Hungary

Cvitas, Marko

Zagreb

Croatia

Czakó, Gábor

Szeged

Hungary

Dékány Attila

Szeged

Hungary

Frankcombe, Terry

Canberra

Australia

Garcia Vela, Alberto

Madrid

Spain

González-Lezana, Tomás

Madrid

Spain

Groenenboom, Gerrit

Nijmegen

Netherlands

Guillon, Gregoire

Dijon

France

Gyo"ri, Tibor

Szeged

Hungary

Jaquet, Ralph

Siegen

Germany

Keshavamurthy, Srihari

Kanpur

India

Klippenstein, Stephen

Lemont, IL

USA

Lombardi, Andrea

Perugia

Italy

Maiti, Biswajit

Varanasi

India

Manthe, Uwe

Bielefeld

Germany

Mezei, Zsolt

Debrecen

Hungary

Murakami, Tatsuhiro

Saitama

Japan

Naduvalath, Balakrishnan

Las Vegas

USA

Nagy, Tibor

Budapest

Hungary

Nyman, Gunnar

Göteborg

Sweden

Papp, Dóra

Szeged

Hungary

Pekkanen, Timo

Helsinki

Finland

Petrongolo, Carlo

Pisa

Italy

Rampino, Sergio

Padova

Italy

Sarka, János

Lubbock, TX

USA

Sokolovski, Dmitri

Bilbao

Spain

Schatz, George C.

Evanston

USA

Szabó, Péter

Leuwen

Belgium

Szidarovszky, Tamás

Budapest

Hungary

Tajti Viktor

Szeged

Hungary

Tasi, Domonkos Attila

Szeged

Hungary

Tennyson, Jonathan

London

UK

Upakarasamy, Lourderaj

Bhubaneswar, Odisha

India

Varandas, Antonio

Coimbra

Portugal

Yin, Cangtao

Szeged

Hungary

Zanchet, Alexandre

Madrid

Spain


PROGRAM

The program will begin with a reception at 6:30 pm on Sunday. There will be four sessions on Monday through Wednesday and two on Thursday. The program for Thursday afternoon is a boat tour to a peninsula called Tihany featuring a visit to a historic monastery, and the program finishes with a party in the garden of the hotel. The only program for Friday is departure.

The sessions begin at 9 am. Two morning sessions and two afternoon sessions are planned. Evenings are left free for discussions. The first session will be on Monday, 4. September morning. The last lecture ends before lunch on Thursday, 8. September.

Dress code: no formal dress is needed at any of the events.

Because the current strain of COVID is pretty easy to catch, please equip yourself with masks; probably it will be reasonable if we wear them inside the hotel and the lecture room.

The schedule of talks can be found here

and the detailed program is here

and here are the abstracts with the associated talk IDs


CONFERENCE SITE

The Workshop will be held in

Hotel Jogar

Spúr István utca 18.

Balatonföldvár

Hungary

GPS 46.852N, 17.883E

Date: September 4-9, 2022

 

Balatonföldvár is located at Lake Balaton in Midwest Hungary about 80 miles SW of Budapest. Balaton is the largest lake in East-Central Europe. Balatonföldvár is on the Southern shore of the lake, which is characterized by sandy beaches and a nice view at the hilly Northern shore. Lake Balaton is one of the favorite vacation places in Hungary. In addition, there are a number of historic places nearby.

 

                                   

 

Hotel Jogar is a small hotel and conference center equipped with a nice garden, indoor and outdoor sports facilities. The lecture hall, accommodation and meals will be in the same building.


SOCIAL PROGRAM

All participants are invited to the following activities:

Welcome reception on Sunday, September 4.

Conference Excursion on Thursday, September 8.

Boat tour on Lake Balaton to Tihany, a unique peninsula in the lake. The peninsula is a remainder of 3-million year old volcanic activity. It features a beautiful church and monastery, an inland pond, a series of caves built by monks and used as a monastery in the 12th century, a historic village, unique flora and numerous signs of prehistoric volcanic activity. The church, located on a hill towering about 100 m over the lake was rebuilt most recently in the Baroque style in the early 18th century. It houses the tomb of Andras I, the fourth king of Hungary from 1060 AD. There is a beautiful view of the lake from the hill. Pieces of folk art are on sale in the village next to the church.

Conference Dinner: Thursday, September 8. after the excursion (garden party setting in the garden of Hotel Jogar.)

 

Program for accompanying guests

Day tours are organized to the tourist attractions around Lake Balaton:

   Keszthely: the Baroque palace of the Festetics Dukes, now Palace Museum

   Badacsony: one of the most famous wine-growing areas in Hungary on a volcanic hill, with wonderful view of Lake Balaton

   Zamárdi: a farmer’s house representing life in a village in the 19th-early 20-st century and the best lookout-tower with a view of the entire Lake Balaton (77 km)

   Siófok: a fashionable summer vacation place called “the Capital of Lake Balaton


TRAVEL

By air

The nearest major airport is Budapest airport, which is connected by direct flight to all major European hubs.

From Budapest the best means of transportation is the railways.

If participants request, we can arrange a direct minibus service from the airport to the conference site.

 

By rail

Balatonföldvár is located on the Budapest-Zagreb railway line and has frequent service from Budapest. There are direct trains serving Balatonföldvár also from the South (Zagreb and Ljubljana).

Trains leave Budapest Déli Pályaudvar at 35 minutes past each hour and 5 minutes past every even hour. You can also get n the train about five minutes later at Kelenföld station, the terminus of Metro line 4. (Note that the other terminus, Keleti pályaudvar is also a railway station but only special direct trains

For train schedules, click here.

You can buy tickets online at https://jegy.mav.hu/jegy/reszletes-kereso. The ticket price is 2520 HUF without and 2820 HUF with seat reservation. If you buy seat reservation, the ticket will be valid only on the selected train. Tickets can be downloaded in pdf format or by using the MÁV application (download link is provided). Trains leaving Budapest can be expected not to be crowded on the first Sunday of September.

 

Hotel Jogar is about 200 m from the train station. Coming from Budapest: walk on the platform in the direction the train came from until the end of the platform, there turn right (away from the tracks) and walk about 200 m. The parking lot of the hotel is on the right-hand side of the street and is lined by pine trees; pass them and turn right in to the street Spúr István u. and walk about 20 m to get to the entrance. Direction signs will be provided. You can also type in your GPS “Hotel Jogar” or the GPS coordinates 46.852N, 17.883E.

 

By car

GPS 46.852N, 17.883E

Balatonföldvár is about 120 km Southwest of Budapest on the M7 Budapest-Zagreb/Ljubljana expressway (E71).

 

From the direction of Germany, from Vienna, Austria and from Bratislava, Slovakia, M7 is easiest to reach via expressway M1 (E60), a direct continuation of A4 of Austria. When approaching Budapest, take expressway M0 at Törökbálint, 20 km W of Budapest, and switch to M7 (E71) after about 2 km.

From the direction of Italy, Croatia and Slovenia: E61-E57-A5 from Trieste through Ljubjana merges M7 through M70, and from Zagreb E65 merges M7 at the border.

Approach Balatonföldvár from M7: coming either from the direction of either Budapest or Zagreb/Ljubljana: exit the expressway at Balatonföldvár/Kereki. The road spirals downhill for more than 1 km and leads to a roundabout, where you need to take the first exit. After a 3.8 km-long drive on the main street of Ko"röshegy and then Szántód you arrive at a junction with traffic lights (Road No. 7). Turn left there and on a 4-lane road lined by large trees you will enter Balatonföldvár in less then 1 km. After an additional 800 m distance you will see a sign saying "Hotel Jogar" (among several others) on the right. Turn right into the small street, then after 50 m turn left in to the street called Spúr István utca. Hotel Jogar is at the corner.

Should you miss the right-turn sign: you can know that you missed the sign when you arrive at a major road junction in a large square with multiple pedestrian crossings. Do not worry: you passed the right turn by only 200 m. At the junction turn right (toward “Vasútállomás” - railway station), and take the first street on your right. You will pass a little bridge over a creek, and will see Hotel Jogar on your left before arriving at the next corner.

From the roundabout near the expressway, a shorter but less straightforward route can be followed by GPS.


ABSTRACTS

The final list of abstracts mapped to the schedule can be downloaded from here: Final list of abstracts.

The book of abstracts is not going to be printed. The online version listing the abstracts in alphabetic order of the last name of the presenting author is available at http://services.chm.unipg.it/ojs/index.php/virtlcomm as the 24th issue of the journal.

With Professor Laganŕ we plan to collect the extended abstracts from the participants wishing to write one and publish them as another volume of VIRT&L-COMM, see below.

As a courtesy of Antonio Laganŕ, the (optionally extended) abstracts will be published in OJS VIRT&L-COMM .

The online journal OJS VIRT&L-COMM was established 10 years ago within the European Grid Infrastructure (EGI) project and is part of the European Open Science Cloud initiative. It is specialized in reporting activities of the virtual Open Molecular Science community members. As Editor-in-chief of VIRT&L-COMM, Prof. Laganŕ offers to the participants of the XVIth QRS workshop the possibility to publish the abstracts of communications presented at the meeting in a special issue of the journal, such as Vol. 8.

The abstracts will first be made available in the Journal about a week before the Workshop. At a later time after the conference, the extended abstracts will be published on VIRT&L-COMM probably in a special issue. No charges will be levied for the publication of the communications.

The preferred format of abstracts is MS Word. The length should be between 1000 and 10000 characters (plus figures and references). Abstract templates will be sent to participants after registration.

VIRT&L-COMM is referenced by Google Scholar.

The abstract deadline was August 1, 2022.


REGISTRATION

Last-minute registration is possible.

Please send an e-mail to qrs at ttk.hu with

-         - your name
-         - affiliation
-         - title of planned presentation
-         - oral/poster preference
-         - accommodation preference (single/double room)
-         - whether you are interested in a direct minibus service from Budapest Airport to Hotel Jogar.
-         The total cost is 165,000 HUF (~400 EUR) in single and 145,000 HUF (~360 EUR) in double room, all inclusive, payable to the hotel.

The registration deadline was August 1.


GDPR Statement

We are going to store only the name, affiliation and e-mail address of each participant for the sole purpose of correspondence concerning the Workshop.

All personal data will be deleted from our files on December 31, 2022.


UPDATES

     The incremental updates since 6. June are:

            9 July - list of participants, registration cost updated

            21 August - Updated are: the list of participants, preliminary program info, travel info, Accompanying persons’ program

            28 August – Updated list of participants, announcement of availability of the collection of abstracts and the program

            3 September – final program, schedule and list of abstracts.


SOME GENERAL INFORMATION ABOUT HUNGARY

MONEY

The official currency is the Forint or HUF. When changing money, beware that the rates and commission varies quite widely. In major stores and gas stations Euro (cash) is accepted, generally at a rate 20 HUF or even about 50 HUF lower than the official exchange rate. Credit cards are extensively accepted in hotels, restaurants, stores and public transportation ticket machines. There are also a number of ATMs where you can get HUF cash with your card.

The approximate exchange rate is 1 Euro=400 HUF (fluctuates by as much as 20 HUF in 2022). (For the actual rates see the Official National Bank rates .)

The colors of different denominations of banknotes are: ruby for 500, blue for 1000, tan for 2000, brown-and-yellow for 5000, maroon-and-orange for 10000 and mostly green for 20000.

The valid Forint coins are the copper-in-nickel 200 and 100, the nickel 50, the copper 20, the nickel 10 and the copper 5.

ADDRESSES

Hungarian addresses consist of the following data, in this order:

1.      the postal code + town/city (+district number; in Budapest this is the 2nd and 3rd digits of the postal code)

2.      street name + building number

3.      floor and apartment number (Roman numerals, pls. note that the ground floor is the zeroth.)

An example:
Institute of Materials and Environmental Chemistry, Research Center for Natural Sciences
H-1117
Budapest XI
Magyar tudósok krt. 2.

NAMES

Surnames first, given names second, e.g. LISZT Ferenc
 

EMERGENCY

General emergency number: 112
Ambulance 104
Police 107
Fire Dept. 105

 

VISITING BUDAPEST

Those interested in Budapest can find information about the city here.


Last updated:  August 21, 2022