Summer School 2023

MD-GAS Training School

Theory and modelling of dynamics of molecules and clusters in the gas phase

Gdańsk 3rd-7th July 2023

The main aim of the MD-GAS COST Action (CA18212) is to develop a new physical and chemical toolbox to significantly advance the understanding of:

  • gas phase molecular dynamics induced in interactions between molecules or clusters and photons, electrons, or heavy particles;
  • its consequences for a broad range of applications in e.g. astrochemical and atmospheric sciences, and molecular radiation damage.

About the school

The school will take place at Gdańsk University of Technology. The participation at the school is free of charge. The training school will cover a broad range of topics in the theory of molecular dynamics as well as application and development of theoretical tools, which provide new opportunities in molecular physics and physical chemistry. The school will be held on-site with attendance limited to 55 trainees and with priority given to PhD students and early career researchers, which are warmly invited to participate. Lectures given by experts in the related fields will be coupled with "hands on" tutorials organized at the computer labs of Gdańsk Tech. It will be a poster session organized during the school. Every participant should present a poster about their research.

Registration and financial support

The MD-GAS COST Action will provide financial support for a limited number of participants. The participants interested in the support should fill the registration form with motivation letter, CV and letter of support at the MD-GAS school website: MD-GAS Training School | Faculty of Applied Physics and Mathematics at the Gdańsk University of Technology ( before June 2nd 2023! A priority will be given to young researchers (PhD students and post-docs). Final registration deadline is 18th June.

Tutors and program

  • César Mogo
    Universidade do Algarve, Portugal
    "From atoms and molecules to complex reaction systems simulations: The MreaDy approach"
  • Emilio Martinez-Nuñez
    Universidade de Santiago de Compostela, Spain
    "Automated Reaction Discovery using MD Simulations"
  • Sergio Díaz-Tendero
    Universidad Autónoma de Madrid, Spain
    "Dynamics of ionized molecules and molecular clusters in the gas phase"
  • Jesús González-Vázquez
    Universidad Autónoma de Madrid, Spain
    "Semiclassical dynamics on electronic excited states using surface hopping"
  • Eva Muchova
    University of Chemistry and Technology, Prague, Czechia
    "Highly excited and ionized states and follow-up ultrafast processes"
  • Aude Simon in association with Mathias Rapacioli
    Université Paul Sabatier, France
    "Molecular dynamics of large molecules and clusters using the DFTB method"


The school will take place at the Faculty of Applied Physics and Mathematics, at the main bulding of GdańskTech. Gdańsk is easily accessible by all means of transport. The most convenient way to get to the city is to fly to the Gdansk Lech Walesa Airport that is located 10 km away from the center of Gdańsk. You may also travel to Warsaw Frederic Chopin Airport, or Warsaw Modlin Airport, situated about 350 km from Gdańsk, and reach your final destination by train or by bus.

How to get to Gdańsk University of Technology

  1. From the Gdansk Lech Walesa Airport to Gdańsk Tech you can travel by:
    • Pomeranian Metropolitan Railway (in Polish PKM - Pomorska Kolej Metropolitalna) from station 'Gdańsk Port Lotniczy' to station 'Gdańsk Wrzeszcz'. Then take either Fast City Rail to station 'Gdańsk Politechnika' (direction Gdańsk Główny or Gdańsk Śródmieście, one stop) - the main building of GDAŃSK TECH is about 15 minutes walking distance from the station, or go to the tram station 'Klonowa' on Grunwaldzka Street and take tram no. 2, 5, 6, 9, 11 or 12 (direction: Łostowice Świętokrzyska, Nowy Port-Oliwska, Przeróbka, Chełm Witosa or Migowo) and get off at 'Politechnika' tram stop (next to Baltic Opera).
    • bus no. 210 (direction: Gościnna) to 'Dworzec Główny PKP' (in the city centre), change to tram no. 6, 9, 11 or 12 (direction: Jelitkowo, Strzyża, Zaspa or Oliwa) and get off at 'Politechnika' tram stop. Instead of travelling by trams you can take Fast City Rail from 'Gdańsk Główny' to 'Gdańsk Politechnika' station.
    • bus no. 110 (direction: Wrzeszcz PKP) to 'Galeria Bałtycka', change to tram no. 2, 5, 6, 9, 11 or 12 (direction: Łostowice Świętokrzyska, Nowy Port -Oliwska, Przeróbka, Chełm Witosa, Siedlce) and get off at 'Politechnika' stop.
    • taxi, approx. cost is 50 PLN (ca 10 €) (ask taxi driver for price before you will use service)
    • Uber, approx. cost is 15 PLN (ca 4 €)
  2. From the main railway station 'Gdańsk Główny' to GDAŃSK TECH you can travel either by trams or by Fast City Rail (in Polish SKM). If you travel by train to 'Gdańsk Wrzeszcz' you can take a tram no. 5, 6, 9, 11 or 12 (direction: Nowy Port-Oliwska, Łostowice Świętokrzyska, Przeróbka, Chełm Witosa or Siedlce) from 'Klonowa' stop and get off at 'Politechnika' stop.

The tickets for trams and buses costs approx. 3 PLN (reduced fare for holders of the student ID card) and 5 PLN (full fare).

The tickets for SKM cost several PLN depending on the distance.

Useful links:

Accommodation and meals

The attendees are expected to arrange their own accommodation. Gdańsk is a very popular tourist destination, especially during the summer, so please make sure you book your stay in advance. Cheap accommodation in walking distance from the university campus can be booked at the student dormitory. Lunches will be served by an external company (approx. EUR 15-20 per lunch). Payment details will be sent to interested participants after registration.


Apart from lectures and tutorials participants will have an opportunity to visit the local supercomputer centre at the new facility of the Centre of Informatics Tricity Academic Supercomputer and networK (CI TASK) and present their own research at a poster session. Every participant is expected to present a poster.



Local Organizers
Marta Łabuda, Ewa Erdmann, Patryk Sadowski