Latest update: 10 Dec 2019

Winter School in Theoretical Chemistry 2019

This is the 35th Winter School

Inorganic Chemistry

Helsinki, December 9th–12th, 2019


[Picture stripe]

Lecturers

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)

Contributing speakers

Annika Krieger, TU Delft, Netherlands Ewa Szlapa, Jyväskylä University, Finland Laia Vilà-Nadal, University of Glasgow, United Kingdom


Download flyer (PDF)


Programme

The School will commence on Monday, 9 December at 9:00. The programme below (21 Nov 2019) is probably very close to the final one.

Monday 9 December

9:00

Welcome

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


Further Information

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 will be held on Monday evening. The posters are browsable throughout the duration of the School.
Abstracts: Dead-line for submitting abstracts has passed. Check that your poster abstract is correctly included in the Abstract book (preliminary).
Credits: Students who wish to have credits for the course, should write an essay on one of the School topics, and return it before 31 Jan 2020. A list of topics will be published after the School. The course will give 3 ECTS.
Fees: The School is free of charge for academic staff and students
Accommodation: Participants should make their own accommodation arrangements.

There is an unofficial Doodle "poll" for finding room mates for shared accommodation here: https://doodle.com/poll/9nz32f2ak9vq5qb9.

Questions: General questions concerning the School can be addressed to Dage Sundholm or Mikael Johansson
Address: Department of Chemistry
P.O. Box 55 (A.I. Virtasen aukio 1)
FI-00014 University of Helsinki
Finland
Email: winterschool@chem.helsinki.fi
Practical notes: Some things to consider.
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.

Get more information about interesting conferences from the Upcoming conferences list at the Computational Chemistry List, CCL.