Latest update: 15 Jan 2020
Matthew Addicoat, Nottingham Trent University, United Kingdom (3h)
Raphael Berger, University of Salzburg, Austria (1h)
Pedro Camargo, University of Helsinki, Finland (2h)
Hazel Cox, University of Sussex, UK (3h)
Antti Karttunen, Aalto University, Finland (3h)
Vera Krewald, TU Darmstadt, Germany (3h)
Heather J. Kulik, Massachusetts Institute of Technology, USA (3h)
Gareth Law, University of Helsinki, Finland (2h)
Michael Patzschke, Helmholtz-Zentrum Dresden-Rossendorf, Germany (1h)
Marcel Swart, University of Girona, Spain (3h)
Monday 9 December
9:00 |
Welcome |
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9:15 |
Cox 1 |
Computational Inorganic Chemistry: Structure, Reactivity and Spectroscopy |
10:00 |
Cox 2 |
Computational Inorganic Chemistry: Structure, Reactivity and Spectroscopy |
10:45 |
Break |
|
11:00 |
Addicoat 1 |
Inorganic Force Fields |
11:45 |
Lunch |
|
13:00 |
Vilà-Nadal |
Metal oxide chemistry, self-assembly and applications, what does theory say? |
13:15 |
Swart 1 |
Spin-state consistent density functionals |
14:00 |
Swart 2 |
Oxidation states |
14:45 |
Break |
|
15:00 |
Karttunen 1 |
Evolutionary crystal structure prediction for inorganic materials, part 1 |
15:45 |
Karttunen 2 |
Evolutionary crystal structure prediction for inorganic materials, part 2 |
16:30 |
Kulik 1 |
Machine learning for accelerating discovery in inorganic chemistry |
17:15 |
Poster Session |
Tuesday 10 December
9:15 |
Addicoat 2 |
UFF |
10:00 |
Addicoat 3 |
Structure generation |
10:45 |
Break |
|
11:00 |
Berger |
Lithium Chemistry and Some Aspects of Li-Cathode Materials Modelling |
11:45 |
Lunch |
|
13:00 |
Krieger |
A dynamic microkinetic model for the catalytic reduction of ester to alcohol |
13:15 |
Szlapa |
Computational Study of the Transformation of gamma-Valerolactone |
13:30 |
Camargo 1 |
Experiment and theory for optical and catalytic properties in inorganic nanoparticles |
14:15 |
Camargo 2 |
Experiment and theory for optical and catalytic properties in inorganic nanoparticles |
15:00 |
Break |
|
15:30 |
Krewald 1 |
Broken-Symmetry DFT for the prediction of magnetic coupling |
16:15 |
Karttunen 3 |
Structural characterization of inorganic materials with computational spectroscopy |
Wednesday 11 December
9:15 |
Law 1 |
An introduction to Radiochemistry and its key areas for future research, part 1 |
10:00 |
Law 2 |
An introduction to Radiochemistry and its key areas for future research, part 2 |
10:45 |
Break |
|
11:00 |
Patzschke |
Some Important Aspects of Computational f-Element Chemistry |
11:45 |
Kulik 2 |
Approximate density functional theory for transition metal chemistry 1 |
12:30 |
Lunch and free afternoon |
|
13:00 |
(Annual meeting of the Computational Chemistry Section of the Finnish Chemical Societies) |
Thursday 12 December
9:15 |
Swart 3 |
Chemical bonding analyses |
10:00 |
Cox 3 |
Computational Inorganic Chemistry: Structure, Reactivity and Spectroscopy |
10:45 |
Break |
|
11:00 |
Krewald 2 |
Magnetic coupling in transition metal oligomers |
11:45 |
Krewald 3 |
Prediction and analysis of magnetically coupled systems with wave function methods |
12:30 |
Kulik 3 |
Approximate density functional theory for transition metal chemistry 2 |
13:15 |
Poster Prize and closing words |
|
13:30 |
Departure and goodbyes |
Place: | University of Helsinki, Kumpula campus, Chemicum lecture hall A129 | ||||
How to find the campus: | See Chemicum on Google Maps | ||||
Registration: | Registration is closed. | ||||
Posters: | A poster session was held on Monday evening. The posters were browsable throughout the duration of the School. The award for outstanding poster went to Maria Dimitrova, congratulations! | ||||
Abstracts: | Check out the Book of Abstracts . | ||||
Lecture notes: | Notes are stored behind a password here: Lecture Notes. More might be added within time. | ||||
Credits: |
Students who wish to have credits for the course, should write an essay on
one of the School topics, and return it before 10 Feb 2020.
Send a PDF of your essay to
winterschool@chem.helsinki.fi.
The course will give 3 ECTS.
The essay topics are:
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Fees: | The School is free of charge for academic staff and students | ||||
Accommodation: | Participants should make their own accommodation arrangements. | ||||
Questions: |
General questions concerning the School can be addressed to
Dage Sundholm or
Mikael Johansson
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Practical notes: | Some things to consider.
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Eat and drink: | Lunch is available in the various canteens of the Kumpula campus. 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. | ||||
Other things of interest: | Helsinki might be cold, but is not dead in December. Check out the #myhelsinki pages. |