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New Challenges for Ab Initio Theory in Molecular Science

Tuesday, 1 July to Saturday, 5 July 2025
Biological and Chemical Research Centre
University of Warsaw, Poland

About the conference

The conference is an extended edition of the workshop “Intermolecular Interactions: New Challenges for Ab Initio Theory” (with the latest workshop taking place in 2023) and is dedicated to memory of Bogumił Jeziorski, who was an organizer of several recent editions of this workshop. The present conference, in addition to the subject of intermolecular interactions, includes topics such as accurate calculations for few-body systems, precision metrology of fluids, and theory of electron correlation.

The workshop “Intermolecular Interactions: New Challenges for Ab Initio Theory” started in 2006 as part of a Telluride Science Research Center series. The first workshop was organized by Małgorzata Szczęśniak and Krzysztof Szalewicz, later the organizers included Grzegorz Chałasinski, Bogumił Jeziorski, and Berta Fernández Rodríguez. The workshop initially was taking place every other year in Telluride, but recently every other workshop is organized in Europe. The last workshop took place in Telluride on March 20-24, 2023 and was organized by Bogumił Jeziorski, Berta Fernández Rodríguez, and Krzysztof Szalewicz.

 

Topics of the conference include

1. Fundamentals of intermolecular interactions
2. New developments of density functional theory (DFT) and its applications in theory of intermolecular interactions
3. Theory of electron correlation including coupled cluster methods and post-DFT approaches
4. Methods applying explicitly-correlated basis sets
5. Ultra-high accuracy methods for few-body systems
6. Intermolecular interaction in ultra-cold physics and chemistry
7. Nonreactive nuclear dynamics of van der Waals clusters
8. Open-shell van der Waals clusters
9. Applications to systems with dozens or hundreds of atoms
10. Applications to soft condensed matter

Sponsors of the conference

We gratefully acknowledge the generous support of the conference sponsors:

Registration

The registration is now closed. It is no longer possible to register for participation in the conference.

Conference fee

The conference fee amounts to 1800 PLN per participant (roughly 430 EUR or 450 USD at the time of opening the registration, please check the current exchange rate). It includes:
1. Conference materials;
2. Lunches on 1-5 July (will be served on site);
3. Conference banquet (in a building nearby);
4. Coffee breaks and refreshments.
The conference fee is waived for all invited speakers.
Please note that no accommodation is provided by the organizers, albeit a list of suggested hotels in the vicinity of the conference venue is given below.
The payment must be issued by bank transfer using the information given below.

Bank Name and Branch: Bank Millenium S.A.
Bank account holder: Uniwersytet Warszawski

Bank account holder address:
Krakowskie Przedmieście 26/28, 00-927 Warszawa

IBAN Code: PL49 1160 2202 0000 0000 6084 9283
BIC/SWIFT Code: BIGBPLPWXXX

In the title of the transfer please enter (important!):
NCAITMS2025 [Name and surname]
Once your payment is registered (may take several days), the invoice will be issued using the data you provided in the registration form. You can pick up the invoice in paper form during the conference.

If you encounter any problems regarding the payment or expect significant delays, do not hesitate to write to: m.lesiuk@uw.edu.pl.

Conference program and information for participants

Shortened program of the conference can be found HERE.
Detailed program of the conference can be found HERE.
Book of abstracts of all conference presentations is available HERE.

Note: the conference banquet (Wed, 2 July, 19:30) will take place in the atrium of the building of Centre of New Technologies (Stefana Banacha 2c St.). It is located only around 200m away from the building in which the rest of the conference takes place; you can view its location HERE.

Book of abstracts in available HERE.

Types and lengths of the presentations

1) Invited talk: 40 min oral presentation (35 min talk + 5 min for discussion);
2) Contributed talk: 20 min oral presentation (17-18 min talk + 2-3 min for discussion);
3) Poster presentation (two poster sessions: Wed, 2 July and Thu, 3 July);

Guidelines for oral presentations

1) Please upload a copy of your presentation to the local computer at least one session in advance. You can provide us your slides on a USB drive or (preferably) by sending them via mail to: p.michalak13@uw.edu.pl. Before your session you will be able to check if your slides display correctly. Unfortunately, due to a large number of talks you cannot use your own computer to project slides.
2) Speakers will use the on-ear microphone available in the conference room. Handheld microphones will be used by the chairs and technical support only.
3) The computer in the conference room has the following software installed: Microsoft Powerpoint, Adobe Reader DC, Apple Keynote. However, we strongly encourage all speakers to prepare their final slides in the PDF format.
4) The recommended aspect ratio for the slides is 16:9. Please let us know in advance if your slides have a different aspect ratio.

Guidelines for poster presentations

1) The poster stands available at the conference are able to support posters of size A0. Any smaller size will obviously work as well.
2) If your poster presentation is in the first session (Wed, 2 July) you can put up your poster at the very beginning of the conference. However, you have to take it down by morning Thu, 3 July at the latest. If your presentation is in the second session (Thu, 3 July) you can put up your poster in the afternoon and it can stay there until the end of the conference.
3) The organizers will provide equipment needed to put posters on the stands.

Special Issue Announcement

We are pleased to announce a special issue of Theoretical Chemistry Accounts organized in memory of Bogumił Jeziorski. All participants of the conference, including those with oral or poster presentations, are invited to submit research papers to this special issue. The conference organizers will serve as Guest Editors and will be joined by Associate Editor Piotr Piecuch, who will represent the journal as Lead Editor for this issue. Submissions covering all topics within the scope of Theoretical Chemistry Accounts are welcome; however, the editors are particularly interested in contributions related to the topics of the conference. As with all submissions to Theoretical Chemistry Accounts, manuscripts submitted to this special issue will undergo a peer-review process to ensure the highest quality of accepted papers. For more details please visit the virtual collection on Theoretical Chemistry Accounts website by following this link.

 

Speakers

We are pleased to announce the final list of invited speakers:
Ad van der Avoird, Radboud University, Nijmegen, Netherlands
Zlatko Bačić, New York University, New York, USA
Rodney Bartlett, University of Florida, USA
Małgorzata Biczysko, University of Wrocław, Poland
Tucker Carrington Jr., Queen’s University, Kingston, Ontario, Canada
Attila G. Császár, Eötvös Loránd University, Budapest, Hungary
Piotr Froelich, Uppsala University, Sweden
Martin Head-Gordon, University of California, Berkeley, USA
Teresa Head-Gordon, University of California, Berkeley, USA
Gerrit C. Groenenboom, Radboud University, Nijmegen, Netherlands
Trygve Helgaker, University of Olso, Norway
Piotr Jankowski, Nicolaus Copernicus University, Toruń, Poland
Georg Jansen, University of Duisburg-Essen, Germany
Kenneth Jordan, University of Pittsburgh, USA
Tatiana Korona, University of Warsaw, Poland
Nancy Makri, University of Illinois at Urbana-Champaign, USA
Edit Mátyus, Eötvös Loránd University, Budapest, Hungary
Alston J. Misquitta, Queen Mary University of London, United Kingdom
Monika Musiał, University of Silesia, Katowice, Poland
Hiroshi Nakatsuji, Kyoto University, Japan
Jozef Noga, Comenius University, Bratislava, Slovakia
Marcel Nooijen, University of Waterloo, Canada
Konrad Patkowski, Auburn University, USA
Krzysztof Pachucki, University of Warsaw, Warsaw, Poland
Jiří Pittner, Academy of Sciences of the Czech Republic, Prague, Czechia
Rafał Podeszwa, University of Silesia, Katowice, Poland
Michał Przybytek, University of Warsaw, Poland
Joachim Sauer, Humboldt University, Berlin, Germany
Lyudmila Slipchenko, Purdue University, West Lafayette, USA
Alexandre Tkatchenko, University of Luxembourg, Luxembourg
Michał Tomza, University of Warsaw, Warsaw, Poland
Piotr Wcisło, Nicolaus Copernicus University, Toruń, Poland
Hans-Joachim Werner, University of Stuttgart, Germany
Weitao Yang, Duke University, Durham, USA
Dominika Zgid, University of Michigan, USA
Piotr Żuchowski, Nicolaus Copernicus University, Toruń, Poland

Call for abstracts

We ask each participant (including the invited speakers) to submit the abstract of their talk/poster presentation. The abstracts can be submitted either in TEX or DOCX formats (click to follow the link to templates for both options). Please send the abstract by email (m.lesiuk@uw.edu.pl). We encourage to additionally attach PDF file generated by you to check the parsing/quality.

Conference venue

The conference will be held at:

Biological and Chemical Research Centre
University of Warsaw
Żwirki i Wigury 101
02-089 Warsaw, Poland

Click here to check the location on Google Map

Accessibility note: The building is adapted and accessible to people with motor impairments.

Travel information: by plane

There are two airports located near Warsaw:

Warsaw Chopin Airport (ul. Żwirki i Wigury, 00-001 Warsaw)
This is the nearest and recommended airport for accessing the conference venue. You can get there from the airport by taking bus 175 or 188, with a travel time of around 18 minutes. If you prefer to take a taxi, it is advisable to use the licensed taxi services available at Chopin Airport, such as Ele Taxi, Sawa Taxi, or Super Taxi. There is also an official Uber pick-up point at the airport.

Warsaw Modlin Airport (ul. Generała Wiktora Thommée 1a, 05-102 Nowy Dwór Mazowiecki)
To travel from Modlin to Warsaw, you may want to consider taking a bus or train. Modlin is a smaller airport located 35 km from Warsaw, primarily serving budget airlines. The most convenient way to get to Warsaw from this airport is by using the Modlin Bus, which operates 24 hours a day and takes about 50 minutes. Taking a taxi from Modlin to Warsaw is not recommended, as it is costly and takes just as long.

Travel information: by train

The closest railway station is Warszawa Zachodnia (Warsaw West Railway Station). However, due to ongoing construction at this station, we recommend arriving at Warszawa Centralna (Warsaw Central Railway Station) instead. You can find the locations of both stations by following the links below:

Location of Warsaw Central Railway Station on Google Maps
Location of Warszawe West Railway Station on Google Maps

Commuting within the city

Warsaw has robust public transport services. You can check the available connections on Google Maps or using a dedicated “JakDojade” webpage: http://jakdojade.pl/warszawa/trasa/. Tickets can be purchased in vending machines (located on many bus stops and in every tram/bus) or through mobile apps. The list of supported apps is HERE. Both cash and credit cards are accepted in vending machines. You can choose between 20-, 75- or 90-minute tickets.

The official currency in Poland is Polish Zloty (PLN). The current exchange rate can be found on government website http://www.nbp.pl, but usually fluctuates around 1 USD = 4 PLN. Currencies other than PLN are usually not accepted in shops. Debit/credit cards: Visa, MasterCard, American Express, are widely accepted and you can pay by card almost everywhere.

 

Accommodation

As mentioned above, accommodation for the participants of the conference is not provided by the organizers. Nonetheless, to help you with selecting a proper place to stay, we assembled a list of suggested hotels located reasonably close to the conference venue. Moreover, some of the hotels offer special discounts for the participants of the conference (see below). However, please remember that it is in no way mandatory to take the suggested list into account and you are welcomed to search for alternative accommodation opportunities on your own. For example, booking platforms such as Booking.com or Trivago are very popular in Poland and sometimes offer considerable discounts. Independently of your choice, we suggest to book early because the conference takes place during peak season.

Warning! We have already received information that some participants of the conference have been contacted by external companies offering “help” in securing the accommodation. These offers are very likely fraudulent and/or predatory. This has become very common in recent years and we strongly recommend to ignore such offers. The organizers of the conference do not collaborate with any external companies regarding the accommodation for the participants and will not offer any accommodation opportunities other than given below.

On the left you can see a rough map that includes locations of the suggested hotels, as well as location of the conference venue and some other key waypoints (airport, railway stations, etc.) The hotels are marked by the symbols H1, H2, … and will be listed below in the same order. You can access the interactive version of this map by following this LINK. The interactive version additionally includes addresses and links to webpages of the hotels.

 

 

 

H1: Radisson Blue Sobieski (4* hotel)

Hotel website and location on Google Maps. Distance to conference venue is about 1.5 km (13 min with public transport).
Special rate for conference participants (about 35% discount): 520 PLN/night (approx. 125 USD) for a single room (1-5 July 2025).
The price includes breakfast and taxes. The offer is valid until 23 May 2025.
To book a room please contact the hotel directly by sending email to: reservation.sobieski.warsaw@radissonblu.com.
In the email please indicate that you are eligible for a discount by giving the code: NCAITMS25.

H2: Novotel Warszawa Airport (4* hotel)

Hotel website and location on Google Maps. Distance to the conference venue is about 3.0 km (18 min with public transport).
Special rate for conference participants:
380 PLN/night (approx. 90 USD) for a single room
440 PLN/night (approx. 105 USD) for a double room
The prices include breakfasts and taxes.
To book a room please contact the hotel directly by sending email to h0527-re@accor.com
In the email please indicate that you are eligible for a discount by giving the code: NCAITMS2025.

H3: Crowne Plaza Warsaw – The HUB (3* hotel)

Hotel website and location on Google Maps. Distance to the conference venue is about 2.1 km (16 min with public transport).
Discount of 10% for the conference participants for booking any type of room (including breakfasts). The offer is valid until 15 May 2025.
To book a room please contact the hotel directly by sending email to reservationcp.warsawhub@ihg.com.
In the email please indicate that you are eligible for a discount by giving the code: “University of Warsaw“.

H4: IBIS Warszawa Reduta (3* hotel)

Hotel website and location on Google Maps. Distance to conference venue is about 2.2 km (13 min with public transport).
Special rate for conference participants:
380 PLN/night (approx. 90 USD) for a single room
400 PLN/night (approx. 95 USD) for a double room
Optional parking place cost 79 PLN per day. The prices include breakfast and taxes. The offer is valid until 12 June 2025.
To book a room please contact the hotel directly by sending email to H7125-RE@ACCOR.COM.
In the email please indicate that you are eligible for a discount by giving the code: NCAITMS25.

H5: IBIS Budget Warszawa Reduta (1* hotel)

Hotel website and location on Google Maps.
Distance to conference venue is about 2.2 km (13 min with public transport).

H6: Hotel Campanile Varsovie (3* hotel)

Hotel website and location on Google Maps.
Distance to the conference venue is about 3.0 km (12 min with public transport).

H7: Hotel Première Classe Warszawa (1* hotel)

Hotel website and location on Google Maps.
Distance to the conference venue is about 3.0 km (12 min with public transport).

H8: Holiday Inn Warsaw City Centre (3* hotel)

Hotel website and location on Google Maps.
Distance to the conference venue is about 2.3 km (17 min with public transport).

H9 and H10: guest houses Hera and Sokrates (student dorms)

Locations on Google Maps: Hera and Sokrates. Websites: Hera and Sokrates.
These are guest houses for, e.g. international students on short-term visits.
To book a room you have to write email to the address given on the website.
In the email please specify that you are a participant of a conference organized by University of Warsaw.

 

Organizing committee

Grzegorz Chałasiński, University of Warsaw, Poland (chalbie@chem.uw.edu.pl)
Berta Fernández Rodríguez, University of Santiago de Compostela, Spain (berta.fernandez@usc.es)
Michał Lesiuk, University of Warsaw, Poland (m.lesiuk@uw.edu.pl)
Krzysztof Szalewicz, University of Delaware, USA (szalewic@udel.edu)

Please note that all communication with the participants of the conference will be carried out using the official mail addresses of the University of Warsaw (domains @uw.edu.pl or @chem.uw.edu.pl) or using the personal e-mail addresses of the organizers (given above). Keep this in mind to avoid scammers that regularly target participants of such events. Additionally, organizers of the conference will request only one payment for the specified conference fee.