Summer School 2015
Methods in Molecular Energy Research: Theory and Spectroscopy
August 30 - September 4 2015

The combination of spectroscopic techniques with high-level computation has evolved into a fundamental component of modern research in molecular sciences. This powerful synergy has already enabled and will continue to drive cutting-edge research in fields ranging from inorganic chemistry to biochemistry and from catalysis to energy research. The goal of this summer school is to provide young scientists with the fundamental knowledge and basic practical skills required to achieve this combination in their own work.

The school is addressed to graduate students, post-doctoral scientists and researchers who want to understand how molecular theory and spectroscopy relate, who wish to enrich their studies, or who plan to actively expand their research into new challenging directions. The format of the school is equally appropriate for experimentalists who wish to incorporate theoretical input in their own research, and for participants who already have a background in computational chemistry and wish to learn how theory is used for predicting spectroscopic properties. Following the great success of the two previous schools, the 3rd Summer School on Molecular Theory and Spectroscopy is scheduled for August 30th to September 4th 2015. It will take place at the Science Park (Wissenschaftspark) of Gelsenkirchen, Germany.

Format

The summer school will consist of morning lectures by top researchers on the various types of spectroscopy (EPR, UV/Vis, IR/Raman, XAS/XES, MCD, Mössbauer), as well as on introductory aspects of theoretical chemistry, ligand field theory and magnetism. Lectures are followed in the afternoon by practical sessions with hands-on computational exercises. Depending on individual interests, the participants may choose to attend optional special interest lectures on selected advanced topics of spectroscopic or computational techniques. A poster session will give the opportunity to discuss current research with the lecturers and other participants in the context of the summer school.

Keynote lectures

We are delighted to announce that Prof. William Tolman (University of Minnesota) and Prof. Stefan Grimme (University of Bonn) will deliver keynote lectures in the 2015 summer school.

Organizers

The summer school is organized by Dr. Dimitrios A. Pantazis, Dr. Dimitrios Manganas, and Dr. Eckhard Bill of the Department of Molecular Theory and Spectroscopy at the Max Planck Institute for Chemical Energy Conversion.

International Max Planck Research School
This Summer School is also the kick-off event for the International Max Planck Institute on Reactive Structure Analysis for Chemical Reactions (IMPRS RECHARGE).

Watch our Summer School Film



Download poster:

PDF | JPG

Keynote lectures


William B. Tolman
University of Minnesota

Website:
www.chem.umn.edu

Stefan Grimme
University of Bonn

Website:
www.thch.uni-bonn.de

Course lectures


Thorsten Glaser
University of Bielefeld

Website:
www.uni-bielefeld.de

Felix Tuczek
University of Kiel

Website:
www.ac.uni-kiel.de

Frank Neese

Website:
www.cec.mpg.de

Eckhard Bill

Website:
www.cec.mpg.de

Serena DeBeer

Website:
www.cec.mpg.de

Maurice van Gastel

Website:
www.cec.mpg.de

 The Science Park Gelsenkirchen is located at the heart of the main traffic network of the Ruhr Valley between motorways A40 and A42. It is also on the main Dortmund - Essen - Cologne rail network. The International Airport in Düsseldorf can be reached in 30 minutes by car or train. If you arrive by train you can take tram no. 302 from Gelsenkirchen mainline station to the Science Park. Alight at the "Wissenschaftspark" stop. Or if you prefer to come by foot, it's less than a 10 minutes walk from the mainline station to the Science Park.

Preliminary Program

Sunday 30/8
14:00 - 17:00 Registration and software installation
17:00 - 17:30 Welcome by the organizers and Frank Neese
17:30 - 18:30 Keynote lecture by William Tolman:
Copper-Oxygen Intermediates Relevant to Metalloenzyme Catalysis
18:30 - 19:30 Dinner
19:30 - Poster session and welcome reception
Monday 31/8
09:00 - 10:30 Introduction to Quantum Chemistry (Frank Neese)
10:30 - 11:00 Coffee break
11:00 - 12:30 Ligand Field Theory (Frank Neese)
12:30 - 14:00 Lunch
14:00 - 16:00 Introduction to ORCA (Frank Wennmohs)
16:00 - 16:30 Coffee break
16:30 - 18:30 ORCA practical session
18:30 - 19:30 Dinner
Tuesday 1/9
09:00 - 10:30 Spin Hamiltonians (Eckhard Bill)
10:30 - 11:00 Coffee break
11:00 - 12:30 Magnetochemistry (Thorsten Glaser)
12:30 - 14:00 Lunch
14:00 - 17:00 Practical sessions
17:00 - 17:30 Coffee break
17:30 - 18:30 Keynote lecture by Stefan Grimme:
Dispersion-corrected mean-field electronic structure methods
18:30 - 19:30 Dinner
19:30 - Poster session
Wednesday 2/9
09:00 - 10:30 EPR Spectroscopy (Maurice van Gastel)
10:30 - 11:00 Coffee break
11:00 - 12:30 Mössbauer Spectroscopy (Eckhard Bill)
12:30 - 14:00 Lunch
14:00 - 16:00 Practical sessions
16:00 - 16:30 Coffee break
16:30 - 18:30 Practical sessions and special interest lectures
18:30 - 19:30 Dinner
Thursday 3/9
09:00 - 10:30 X-ray Spectroscopy (Serena DeBeer)
10:30 - 11:00 Coffee break
11:00 - 12:30 Optical and MCD Spectroscopies (Felix Tuczek)
12:30 - 14:00 Lunch
14:00 - 16:00 Practical sessions
16:00 - 16:30 Coffee break
16:30 - 18:30 Practical sessions and special interest lectures
18:30 - 19:30 Dinner
19:30 - ORCA Q&A session
Friday 4/9
09:00 - 10:30 Vibrational Spectroscopy (Frank Neese)
10:30 - 11:00 Coffee break
11:00 - 12:30 Chemical Reactivity (Shengfa Ye)
12:30 - 14:00 Lunch
14:00 - 16:00 Practical sessions
16:00 - 16:30 Coffee break
16:30 - 18:30 Practical sessions and special interest lectures
19:00 - BBQ

Host

Host of this Internet web site in the legal sense is the Munich-based "Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V." (to be rendered in English as the "Max Planck Society for the Advancement of Science").

Address:

Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.
Hofgartenstraße 8
80539 München , Germany
Telephone: +49 89 2108-0
Internet: www.mpg.de

Register of societies

The Max Planck Society is registered in the register of societies at the district council in Berlin-Charlottenburg. The registration number is VR 13378 B.

Representatives

The Max Planck Society is officially represented by its Board of Directors, which in turn is represented by the President of the Society, Professor Dr. Peter Gruss, and by the Secretary General, Dr. Barbara Bludau.

Editor

Editor responsible for the content of this Internet web site of the Max-Planck-Institut für Chemische Energiekonversion is
Christin Ernst
Max-Planck-Institut für Chemische Energiekonversion
Stiftstrasse 34-36
45470 Mülheim an der Ruhr
E-mail: info@cec.mpg.de

Legal Structure / Disclaimer

On visiting this website your IP data will be logged in anonymized form for statistical purposes, user profile are not made. For questions regarding data security please contact the data security officer of the MPG by e-mail or phone +49-89-2108-1317. Logged data will be made available to state officials only in case of attacks on our infrastructure or under legal orders. The Max Planck Society makes every effort to provide timely and accurate information. Nevertheless, mistakes and confusions may occur. The Max Planck Society does not assume liability for relevance, accuracy and completeness of the information provided. The Max Planck Society is only liable for material or immaterial damages if it can be proven that the Max Planck Society caused damage deliberately or through gross negligence. The damages include those which arise from the use or misuse of the information provided or direct or indirect damages which arise through the use of faulty or incomplete information The same goes for the software available free of charge which can be used for downloading. The Max Planck Society reserves the right to change, supplement, or delete some or all of the information on its Internet web site without notice. Similarly, the Society also reserves the right to temporarily or permanently discontinue the Internet web site. Note: Individuals or organisations providing information on the Internet are only responsible for illegal and punishable contents derived from other sources which are accessed by direct or indirect connections, e.g. "links", if the individuals and organisations are aware of the nature of these contents on these web sites. Contents derived from other sources (e.g. "links") are noted appropriately. The Max Planck Society has no influence whatsoever on contents derived from these sources and does not promote them. The Max Planck Society has no knowledge of illegal or offensive contents contained in the linked web sites from other information providers. If there are illegal and offensive contents on the web sites of these information providers, the Max Planck Society distances itself from the contents.

Copyright

The layout, graphics and other contents of this homepage are protected by copyright law.

© Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V., München. All rights reserved

Christin Ernst


MPI für Chemische Energiekonversion, Germany
Stiftstr. 34-36
45470 Mülheim a.d.Ruhr
Phone: +49 208 3063681
E-Mail :  E-Mail
 

We are sorry, registration is closed!


* All participants are expected to bring their own laptop computers in order to take part in the practical sessions, all of which involve computational exercises. The organizers cannot provide any laptops to participants.

* The participant must have full administrative access on his/her laptop, because software will be installed and configured for the purposes of the summer school.

* Although there are no formal minimal hardware requirements, the participant's laptop must be of recent make and reasonably powerful since the practical sessions involve calculations that may take too long or fail to complete within schedule on older computers or on "netbooks" / "ultrabooks".

* Supported operating systems are recent 64-bit versions of Windows, Mac OS-X, and Linux. Other operating systems and 32-bit versions of the above are not supported and will not work with the software provided at the summer school.

* The registration fee for the Summer School is € 150,-. Please make sure to pay the fees by July 15th.

* The registration fee includes: participation to all lectures and practical sessions, and all meals. Expenses for accommodation are not included. Participants are required to book their own hotel rooms. However, we did block a room contingent in two hotels in Gelsenkirchen until July, 5th; the IBIS and the InterCityHotel Gelsenkirchen. (Further information below.)

* Poster: The poster should be in the format DIN A 0 (84cm x 118cm ). Please bring a printed version, as it is not possible to print the poster on site.




Accommodation

We recommend booking one of the following two hotels:

IBIS Gelsenkirchen ***
Bahnhofsvorplatz 12, 45879 Gelsenkirchen (1,0 km to the Wissenschaftspark)
Tel: +49 (0) 209 170 2 - 0
Fax +49 (0) 209 20 98 82
Single room: € 69,- / double room: € 79,- (incl. breakfast)
http://www.accorhotels.com

InterCityHotel Gelsenkirchen ***
Ringstraße 1-3, 45879 Gelsenkirchen (900m to the Wissenschaftspark)
Tel: +49 (0) 209 9255 0
Fax: +49 (0) 209 9255 999
Single room: € 63,- / double room: € 73,- (incl. breakfast)
http://de.intercityhotel.com

If you book a room in the IBIS or InterCityHotel, please state that you are a participant of the Max Planck Institute’s Summer School. The rooms are reserved until July, 5th.


Of course, you are free to stay in any other location of your choice.
Other hotels are for instance:

Maritim Hotel Gelsenkirchen ****
Am Stadtgarten 1, 45879 Gelsenkirchen
SR/DR: from € 76,- (excl. breakfast)
http://www.maritim.de

St. Petrus **
Munckelstr. 3, 45879 Gelsenkirchen
SR/DR: from € 70,- (incl. breakfast)
http://www.hotel-gelsenkirchen.com

Hotel am Stern *
Bismarckstr. 70, 45888 Gelsenkirchen
SR: from € 50,- DR: from € 70,- (incl. breakfast)
http://www.am-stern.de