Latest update: 21 December 2023

Winter School in Theoretical Chemistry 2023

Dynamic processes of molecules in electronic excited state

This is the 37^th Winter School

Helsinki, 11 December - 14 December 2023

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Lecturers

Daniel Blasco Santana, Universidad de La Rioja, Spain

• Lecture 1: Introduction to molecular luminescence
• Lecture 2: Molecules with inverted singlet-triplet gaps
• Lecture 3: Experimental aspects of TADF and DFIST emitters

Ville Kaila, University of Stockholm, Sweden

• Lecture 1: Multiscale methods for modeling long-range charge transfer dynamics in complex (bio)chemical systems
• Lecture 2: Mechanism of light-driven charge transfer dynamics in photosystems

Antti Karttunen, Aalto University, Finland

• Lecture: Role of the solid-state environment in the photophysics of luminescent organometallics

Jörg Kussmann, University of Munich, LMU, Germany

• Lecture 1: Highly efficient integral methods for ab initio simulations
• Lecture 2: (Non-)adiabatic ab initio dynamics on graphic processing units
• Lecture 3: Excited state methods beyond linear response theory

Keith Kuwata, Macalester College, USA

• Lecture 1: Computational Studies of Atmospherically Relevant Peroxy Radical and Ozonolysis Reactions

Nanna Holmgaard List, KTH Royal Institute of Technology, Sweden

• Lecture 1: In silico excited-state dynamics: From exact to approximate expressions with multidimensional complex gaussian
• Lecture 2: On potential and inertial effects in excited-state dynamics
• Lecture 3: Open challenges and opportunities in excited-state dynamics

Fabrizio Santoro, Consiglio Nazionale delle Ricerche (CNR) di Pisa, Italy

• Lecture 1: Steady state vibronic spectroscopy. How we compute it and what we learn on excited state dynamics
• Lecture 2: Methods for wavepacket propagations on coupled surfaces and model vibronic Hamiltonians for nonadiabatic problems
• Lecture 3: Quantum dynamical and hybrid methods at work for the computation of photoinduced dynamics in molecules, molecules in complex environments and molecular aggregates

Dage Sundholm, University of Helsinki, Finland

• Lecture 1: Chemical and physical processes of electronic excited states, an introduction
• Lecture 2: Non-radiative relaxation processes of electronic excited states

Contributed Talks

• Roberto Cacciari Multiconfigurational Description of the Excitonic States in Light Harvesting 2
• Oleksii Zdorevskyi Horizontal proton transfer in respiratory complex I

The School will commence on Monday, 11 December at 9:00.

Place:(not at the Chemistry Department)

Porthania Building, City Center Campus, University of Helsinki

The lectures are in lecture hall PIII in the Porthania building.

Address: Yliopistonkatu 3 (The nearest metro station is Helsingin yliopisto (University of Helsinki) which is next door to Porthania).

Porthania Building on the map

Posters:

Please send your abstract as one A4 page in pdf format to winterschool@chem.helsinki.fi

The Abstract Book with the poster abstracts received so far.

The two contributing talks have been chosen.

Address:
Department of Chemistry
P.O. Box 55 (A.I. Virtasen aukio 1)
FI-00014 University of Helsinki
Finland

Lecture notes:

Credits:

The essay topics are:

1. Photophysical properties and the fate of electronic excited states
2. Non-radiative transitions between electronic states
3. Design of efficient OLED emitter molecules
4. Environmental effects on photophysical properties
5. Multiscale methods for modeling electron transfer
6. Excited state methods beyond linear response theory
7. Simulating vibrationally resolved electronic spectra
8. Modeling the dynamics of excited states of biomolecules
9. Quantum chemical methods for studying photoinduced dynamics in molecules
10. Title of your own choice (which is related to the theme of the school)

Fees:

Accommodation:

• List of Hotels in Helsinki

Organisers:

The organising committee consists of

• Dage Sundholm, University of Helsinki
• Stefan Taubert, University of Helsinki
• Susi Lehtola, University of Helsinki
• Theo Kurtén, University of Helsinki

Questions:

Practical notes:

• Arriving at the airport, you can take the public bus 600 or the train connection between the airport and the central railway station with ringrail trains I and P (you need an ABC zone ticket from a vending machine, an R-kioski -shop or with the mobile phone app HSL). You might consider buying a four-day ticket (see tip below).
• The Journey Planner for public transport, and Google Maps might be helpful. Wikipedia knows about public transport in Helsinki as well.
• Information about tickets for public transport (HSL): Link to HSL pages . In the city center area you will need to buy a AB ticket but for the airport you will need a ticket for zones ABC. A four-day ticket for the ABC zone will cost 27,50 €. You can also buy tickets with the mobile phone app "HSL".
• A taxi from the airport to the Kumpula campus (A.I. Virtasen Aukio 1) or the city centre should be around 40–50 €. Note: Taxi prices are unregulated, so a ride can in principle cost anything. Best to ask the driver beforehand. This applies to all taxi rides, not only from/to the airport.
• Look at the latest weather reports before travelling as temperatures might drop below the freezing point for the Winter School week.

Eat and drink:

For the evenings, we have collected a list of places suitable for slightly larger groups. The ones in italics are also good for just a drink or three. There's also a more complete restaurant map.

• Elite
• Harald
• Juttutupa
• Kaisla
• Manala
• Rodolfo
• Rymy-Eetu
• Salve
• Zetor

Other things of interest: