Atomic structure of nanosystems from first-principles simulations and microscopy experiments




Recent progress in the transmission electron microscopy (TEM) as well as in scanning tunneling and atomic force microscopy (STM/AFM) made it possible to not only unravel the atomic structure of various systems with a resolution of better than 0.1 nm, but also carry out elemental analysis and determine the types of particular atoms in the sample. Moreover, based on spectroscopic in-situ techniques (for example, electron energy loss spectroscopy, EELS), the charge state and the bonding configuration of individual atoms and point defects in the material can be identified.

The unequivocal interpretation of the experimental results can considerably benefit from the juxtaposition of the images to the results of first-principles calculations. With regard to TEM, the accuracy of the measurement is now so high that in addition to the information on the atomic configuration (that is atom positions), the detailed information on the spatial distribution of the electron density and on the electron structure of the system is required. Likewise, the microscopy knowledge on the local electronic structure of the system is extremely important for the correct interpretation of the experimental STM and AFM images and spectra.

First principles simulations, and specifically density-functional theory (DFT) approaches, have provided lots of insight into the electronic structure and properties of various solids. They also considerably extended our understanding of how the STM/AFM or TEM images are formed. Besides, using DFT and time-dependent DFT molecular dynamics, one can simulate the manipulation of the nanostructures by SPM tools and the changes made to the system, e.g., production of defects under electron irradiation and their time evolution.

In this workshop we are going to bring together the TEM/STM/AFM experts and computational materials scientists to discuss the progress in TEM/ STM/AFM analysis and visualization of the atomic structure of nanosystems. The workshop will be focused on various nanostructures, and will include a wide variety of substrates from graphene to complex oxides.

Physics Boat 2012 is the second time we take science on a cruise. The previous event was held in 2011. The workshop consists of invited and contributed talks as well as posters. Invited and contributed speakers will cover the recent progress in simulations and the relevant experimental areas.

Important dates



The workshop will take place on a board of a ferry going from Helsinki to Stockholm via Aland and back.

The workshop will start at 11:00 am with lunch on 15th of May, and we will work till 8 pm (with ca 1 hour break to see the departure, Helsinki archipelago and the Suomenlinna fortress). Next morning (the ferry arrives in Stockholm at 9:30 am) will be used for discussions, which can take place in Stockholm downtown.

The presentations will continue again at about 2 pm, and they will last until 8-9 pm. After returning to Helsinki on Thursday 17.05, we remain on board of the ferry till 3 pm, and the presentations will continue from 9 am on till 3 pm with a lunch break.

If you cannot arrive in Helsinki early enough on Tue 15th of May, we recommend that the you come on Mon the 14th and spend the night in Helsinki.


Bus from the airport

There is a direct bus from the airport to downtown Helsinki (bus number 615/615T). The trip will take about 30 minutes (615) to 45 minutes (615T) and will cost 4 euro (can be bought from the driver). You can also take Finnair Express bus to downtown which is quicker, but will cost 6 euro. From downtown, you need to come to the ship terminal (Olympiaterminaali), which can be reached with tram 3T (included in the 4 euro bus ticket if tram is entered within 90 minutes from buying the ticket). The tram trip will take about 10 minutes. Walking the same distance will take about 15 minutes.

The easiest way to plan the trip from and to the airport is to use the journey planner (available in English).

Journey planner will also provide you with maps of the journey. For the places, type in: "Helsinki-Vantaa Airport, Vantaa" and "Olympiaterminaali, Helsinki".


Another option is to take taxi from the airport. The price will be about 40 euros, and the trip will take ~30 minutes depending on the traffic.


Abstract submission

Registration is closed. If you have any questions, please contact the organizers.


There is no workshop fee and the participants will need to pay only a part of their accommodation costs, as specified below (except for the invited speakers).

This covers accommodation in a sea-view cabin, two buffet-style dinners and two breakfasts. The details of payment will be given later.


We thank the following funding agencies for support: NanoTP COST action MP0901, Psi-k Network, Aalto University, and Tampere University of Technology.

NanoTP Psi-k Aalto TUT


Below is a list of confirmed invited speakers.


The programme is given below. You can view individual abstracts by clicking on the names. You can also view the full abstract book which includes the poster presentations. Please note that a printed abstract book will be provided by the organizers, so do not print your own.

Tuesday Wednesday Thursday
11:00 - 11:30 Registration 14:00 - 14:40 Hofer 9:00 - 9:40 Chuvilin
11:30 - 12:30 Lunch 14:40 - 15:20 Esch 9:40 - 10:00 Martinez
12:30 - 12:40 Opening 15:20 - 15:40 Spijker 10:00 - 10:20 Bittencourt
12:40 - 13:20 Schwarz 15:40 - 16:20 Coffee at posters 10:20 - 10:40 Kolmer
13:20 - 14:00 Wehling 16:20 - 17:00 Yakobson 10:40 - 11:00 Weiner
14:00 - 14:20 Ivas 17:00 - 17:40 Golberg 11:00 - 11:30 Coffee at posters
14:20 - 15:00 Coffee at posters 17:40 - 18:00 Susi 11:30 - 12:10 Giessibl
15:00 - 15:40 Michely 18:00 - 18:20 Break 12:10 - 12:30 Stirling
15:40 - 16:20 Jelinek 18:20 - 19:00 Lauritsen 12:30 - 12:50 Prauzner-Bechcicki
16:20 - 16:40 Liljeroth 19:00 - 19:20 Federici Canova 12:50 - 13:10 Slobodskyy
16:40 - 18:00 Discussions 19:20 - 19:40 Komsa 13:10 - 14:00 Lunch
18:00 - 18:40 Pennycook 19:40 - 20:00 Koskinen
18:40 - 19:20 Kotakoski 20:00 - 22:00 Dinner
19:20 - 19:40 Swart
19:40 - 20:00 Jarvis
20:00 - 22:00 Dinner


The workshop is organized by the Department of Applied Physics in Aalto University, the Department of Physics in Tampere University of Technology, and the Department of Physics in University of Helsinki.

Dr. Arkady Krasheninnikov
Prof. Adam Foster
Prof. Risto Nieminen
Dr. Teemu Hynninen

email: akrashen at

Department of Applied Physics
Aalto University
P.O.Box 11100
FI-00076 Aalto, Finland
Fax: +358-9-4513116
Department of Physics
Tampere University of Technology
P.O.Box 692
FI-33101 TUT Tampere, Finland
Fax: +358-3-31152600
Department of Physics
University of Helsinki
P.O.Box 64
FI-00014 Univ. of Helsinki, Finland
Fax: +358-9-19150610


2012-01-16 Website launched
2012-02-17 Registration open
2012-04-25 Programme posted
2012-05-02 Abstracts posted
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