Lehrstuhl für Theoretische Chemie


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TheoChem@RUB: General Information for Applicants (for specific job offers see below):

http://ftp.theochem.ruhr-uni-bochum.de/outgoing/webdata/rubbilder/rub10.jpg

The University of Bochum (Ruhr-Universität Bochum, RUB) is one of the largest Universities in Germany, covering a vast range of fields in the Arts, Science, Engineering, and Medicine. It is member of the German Elite Universities ("Förderlinie Graduiertenschulen der Exzellenzinitiative") as established in fall 2006 based on recommendations of an independent international review panel. RUB is located at the heart of the Ruhr Area (Ruhrgebiet), a vibrant metropolitan complex with about nine million inhabitants. The region offers an unusually broad range of cultural and recreational attractions which are easily accessible by the very efficient public transport network.

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Our Subway Station
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Entrance Area
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On Campus

The Department of Chemistry and Biochemistry (Fakultät für Chemie und Biochemie) at RUB is one of the largest faculties on campus. Therein, the Center for Theoretical Chemistry (Lehrstuhl für Theoretische Chemie, headed by Professor Dominik Marx, Lehrstuhlinhaber, and formerly by Professor Werner Kutzelnigg) hosts several research groups including junior research groups (Habilitanden/Nachwuchsgruppen). All groups share common interests in "molecular or biomolecular systems" but taken together they also cover a substantial part of the entire spectrum of Theoretical Chemistry, see the Research / Forschung and the Media Gallery / Mediathek items on this site for details. Typically there are more than twenty scientists affiliated to Theoretical Chemistry at RUB being an international mix of physicists, chemists, and biochemists. This is supplemented by short- to mid-term visiting professors, scientists, and PhD students in the framework of collaborations or exchange programs.

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Auditorium Maximum
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Klais Organ @ RUB
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Art Museum @ RUB

The Center for Theoretical Chemistry offers a broad and profound program in undergraduate, graduate, and postgraduate teaching and training in modern Theoretical Chemistry and Biochemistry. PhD students are affiliated to the "Graduate School of Chemistry and Biochemistry" (GSCB) offering a rich spectrum of lectures and courses. The School runs specially tailored programs aimed at foreign PhD students covering both scientific and cultural events. In addition to having the possibility to attend the regular series of Theoretical Chemistry Colloquia (held in English) the students and postdocs will have the opportunity to be trained in complementary skills in the field of hardware and software management in a complex environment.

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Chinese Garden @ RUB
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Meeting Center @ RUB
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Botanical Garden @ RUB

The Center for Theoretical Chemistry at RUB is well equipped with Computer hardware and software. This includes high-end graphics desktop PCs for each member - offices are spacious, well equipped and are shared by two or three colleagues - and a farm of servers for code development and tests supplemented by state-of-the-art graphics facilities. For applications and production runs Theoretical Chemistry operates a broad range of computational resources. These machines include several PC-based compute servers, multiprocessor alpha workstations, and altogether ten different clusters. Five of these clusters have a high speed Infiniband interconnect (up to ConnectX-3 HCAs with QDR bandwidth) whereas the remaining clusters have at least one dedicated gigabit ethernet network. The number of two-way nodes varies from 8 to 180. Altogether, the local equipment adds up to more than 30 TeraFlop/s of computing power, nearly 9 TeraByte of RAM, and 80 TeraByte of RAID5 or RAID6 disk space. This is supplemented by the RUB Computer Center and several other parallel platforms in the state (Ressourcenverbund NRW) and also by grants from several National Supercomputer Centers (Höchstleistungsrechenzentren) in Germany. Thus, TheoChem@RUB offers a superb environment for learning, applying, and developing High-Performance Scientific Computing in Molecular Science.

Ruhr-Universität Bochum is committed to promoting the careers of women and therefore actively welcomes applications from female candidates. As an equal opportunities employer, we also encourage applications from suitably qualified disabled candidates and other groups.

Postdoc and PhD Student Positions: Covalent Mechanochemistry and Molecular Nanomechanics

Center for Theoretical Chemistry, University of Bochum, Germany

Applications are invited to apply for several PhD and Postdoctoral Research Fellow positions, which are available immediately or upon mutual agreement.

Candiates with a strong background in one of the following subdisciplines of theoretical chemistry and physics are most welcome: electronic structure calculations, statistical mechanics (both numerical and analytical) and/or molecular simulation. She or he will be involved in a number of challenging projects within the realms of the emerging fields "covalent mechanochemistry" and "molecular nanomechanics" developed in this group, see e.g. PRL 100 (2008) 115503, PRL 95 (2005) 096102, JACS 126 (2004) 12103, Angew. Chem. Int. Ed. 42 (2003) 2251.

Information on the techniques used and developed at CTC are accessible via www.theochem.rub.de/go/cprev.html. The Center for Theoretical Chemistry at RUB offers an exciting interdisciplinary research environment and excellent facilities including several high-performance parallel platforms in house, see www.theochem.rub.de/go/jobs.html.

Candidates should send a detailed resume including an outline of their research achievements and interests as well as contact information to obtain academic references to:

Professor Dominik Marx
Lehrstuhl fuer Theoretische Chemie
Ruhr-Universitaet Bochum
44780 Bochum, Germany
Email: theochem@theochem.rub.de

There is no deadline. Consideration of candidates will begin immediately and continue until the position is filled.

Ruhr-Universität Bochum is committed to promoting the careers of women and therefore actively welcomes applications from female candidates. As an equal opportunities employer, we also encourage applications from suitably qualified disabled candidates and other groups.

Group Leader and Postdoc Positions: Ab Initio Biomolecular Simulation

Center for Theoretical Chemistry, University of Bochum, Germany

Applications are invited to apply for a Postdoctoral Research Fellow position, which is available immediately or upon mutual agreement. Depending on the applicant's profile there will be the opportunity for establishing an Independent Research Group and for academic qualification in the framework of Habilitation.

The ideal candidate should have significant experience in electronic calculations of complex biomolecular systems and reactions, including preferentially multiscale QM/MM--type approaches. A PhD in theoretical physics or chemistry is required, as well as research experience as a postdoc. She or he will be involved in a number of challenging projects in the realms of ab initio biomolecular simulation (see e.g. some of our recent papers: JACS Commun. 130, (2008) 2768; PNAS 104 (2007) 20725; PNAS 104 (2007) 6980; JACS 128 (2006) 13815).

Information on the techniques used and developed at CTC are accessible via www.theochem.rub.de/go/cprev.html. The Center for Theoretical Chemistry at RUB offers an exciting interdisciplinary research environment and excellent facilities including several high-performance parallel platforms in house, see www.theochem.rub.de/go/jobs.html.

Candidates should send a detailed resume including an outline of their research achievements and interests as well as contact information to obtain academic references to:

Professor Dominik Marx
Lehrstuhl fuer Theoretische Chemie
Ruhr-Universitaet Bochum
44780 Bochum, Germany
Email: theochem@theochem.rub.de

There is no deadline. Consideration of candidates will begin immediately and continue until the position is filled.

Ruhr-Universität Bochum is committed to promoting the careers of women and therefore actively welcomes applications from female candidates. As an equal opportunities employer, we also encourage applications from suitably qualified disabled candidates and other groups.

Postdoc and PhD Student Positions: Surface Chemistry and Heterogeneous Catalysis

Center for Theoretical Chemistry, University of Bochum, Germany

Applications are invited to apply for several PhD and Postdoctoral Research Fellow positions, which are available immediately or upon mutual agreement.

The ideal candidate should have significant experience in periodic density functional calculations involving complex surfaces, interfaces and molecules. A PhD in theoretical physics or chemistry is required, as well as research experience as a postdoc. He or she will be involved in a number of challenging projects in the realms of surface chemistry, heterogeneous catalysis and nanostructured surfaces (see e.g. Angew. Chem. Int. Ed. 46 (2007) 4894; PRL 95 (2005) 096102; Angew. Chem. Int. Ed. 43 (2004) 6641). The project will strongly benefit from interactions within the Collaborative Research Center SFB 558 (www.sfb558.de).

Information on the techniques used and developed at CTC are accessible via www.theochem.rub.de/go/cprev.html. The Center for Theoretical Chemistry at RUB offers an exciting interdisciplinary research environment and excellent facilities including several high-performance parallel platforms in house, see www.theochem.rub.de/go/jobs.html.

Candidates should send a detailed resume including an outline of their research achievements and interests as well as contact information to obtain academic references to:

Professor Dominik Marx
Lehrstuhl fuer Theoretische Chemie
Ruhr-Universitaet Bochum
44780 Bochum, Germany
Email: theochem@theochem.rub.de

Consideration of candidates will begin immediately and continue until the position is filled.

Ruhr-Universität Bochum is committed to promoting the careers of women and therefore actively welcomes applications from female candidates. As an equal opportunities employer, we also encourage applications from suitably qualified disabled candidates and other groups.

PhD Fellowship in Theoretical Chemistry

Center for Theoretical Chemistry, Ruhr-Universität Bochum, Germany

A Ph.D. position in theoretical chemistry is immediately available in the Emmy Noether group of Dr. Jörg Behler at the Ruhr-University in Bochum, Germany.

The project in the field of theoretical surface science involves the development of novel efficient and accurate potentials based on electronic structure calculations and neural networks. The potentials will be applied to state-of-the-art molecular dynamics simulations of complex chemical processes at interfaces. A close collaboration with experimental groups is planned.

The Center for Theoretical Chemistry offers an exciting interdisciplinary research environment and excellent facilities including several high-performance parallel platforms in house. For more information, please see http://www.theochem.ruhr-uni-bochum.de/home.en.html.

Interested candidates should hold a M.Sc. in physics, chemistry or a related field. A background in density-functional theory, as well as experience in Fortran programming are advantageous. The candidate should be interested in contributing to the implementation of new approaches to construct efficient potentials in computer codes. Good communication skills in English are required.

Please send your application including a CV, a list of publications, and contact addresses of two academic references (preferably by email) to

Dr. Jörg Behler
Lehrstuhl für Theoretische Chemie
Ruhr-Universität Bochum
44780 Bochum, Germany
Email: joerg.behler@theochem.rub.de

Consideration of candidates will begin immediately and continue until the position is filled. The Ruhr-University is an equal opportunity employer and particularly welcomes applications from women.


We are constantly looking for excellent students (BSc, MSc, PhD) and postdocs. In addition, we frequently employ undergraduate students to help us maintain our computational resources with regard to both software and hardware in a complex setup.

In addition, we welcome applications for hosting Marie Curie, DAAD, Alexander von Humboldt, Emmy Noether, Heisenberg and other fellows. You will be member of a stimulating research group and profit from the excellent research facilities at the Ruhr-Universität Bochum!

We also help students find work experience places or summer student positions in the area of theoretical chemistry in the chemical industry and at the John von Neumann Institute for Computing (NIC) or the Zentralinstitut für Angewandte Mathematik (ZAM) of the research center Jülich (FZJ).

Please contact the Theoretical Chemistry secretary for more specific information. Please note, that you should contact us well in advance to avoid any complications.


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