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Gunnar Nyman

Professor

Gunnar Nyman
Professor
Academic degree: Docent
gunnar.nyman@gu.se
+46 31 786 9035
0766-229035

Room number: 5025
Postal Address: Kemigården 4, 412 96 Göteborg
Visiting Address: Kemigården 4 , 412 96 Göteborg


Department of Chemistry & Molecular Biology (More Information)
Box 462
405 30 Göteborg
www.cmb.gu.se
inst.kmb@cmb.gu.se
Fax: +46 31 786 2599

Visiting Address: Medicinaregatan 9 C , 405 30 Göteborg

About Gunnar Nyman

 My research mainly concerns quantum aspects of astrochemistry, particularly in star forming regions and planetary atmospheres, like that of Venus and Earth. We solve the Schrödinger equation on computers using numerical methods and models that we develop. More details of various projects carried out in my research group follow:

Interstellar Chemistry: 
In recent years it has become clear that we live in a Molecular Universe. Molecules are important in star forming regions and we study key molecules and their reactions. Here quantum dynamical approaches can be particularly important as often cold and non-thermal conditions apply whereby classical or statistical approaches may be less relevant.

Radiative association is a way of forming molecules by emitting a photon. This process can be important in interstellar space as there the density is extremely low. Calculated rate constants are made available in the data base KIDA in order to improve modeling of the chemical network of reactions occurring in interstellar space.

We also wish to on understanding chemical processes on interstellar grains. Frozen water often cover interstellar dust grains. We therefore model hydrogen diffusion on and in amorphous ice. We also investigate the photochemistry of water ices.

Chemical Reactions: 
We focus on Quantum Dynamics, with some bias towards polyatomic molecules. We perform quantum scattering calculations, time-independent and time-dependent including the use of time-dependent Hamiltonians and we also perform quasiclassical trajectory calculations. We are also users of ab initio packages so as to obtain energy points from which we can generate analytic potential energy surfaces.

Condensed Phase:
 We treat condensed phase processes with an approximate inclusion of quantum effects using a Linearized Path Integral approach combined with a technique which allows anharmonic effects to be included while simulating several hundred degrees of freedom. 
Lately we have also started taking an interest in implementing and applying Ring Polymer Molecular Dynamics (RPMD) to condensed phase processes.

Teaching
I teach Physical Chemistry in particular quantum chemistry and kinetics (second year) and quantum dynamics (doctoral course).

Commissions
I am the scientific leader for University of Gothenburg in the joint effort that is being made together with Chalmers to establish a centre for “Advanced studies in science and technology”,
which will have a focus on fundamental scientific research of long-term character. I am on the board of the Faculty of Science at the University of Gothenburg. I am IT representative for the Faculty of Science.

Latest publications

Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited States.
Divya Sharma, W M C Sameera, Stefan Andersson, Gunnar Nyman, Martin J Paterson
Chemphyschem : a European journal of chemical physics and physical chemistry, Journal article 2016
Journal article

Reaction rate constant for radiative association of CF+
J. Ostrom, D. S. Bezrukov, Gunnar Nyman, M. Gustafsson
Journal of Chemical Physics, Journal article 2016
Journal article

Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates
De-quan Yu, He Huang, Gunnar Nyman, Zhi-gang Sun
Chinese Journal of Chemical Physics, Journal article 2016
Journal article

A case of allergic contact cheilitis caused by propolis and honey.
Gunnar Nyman, Lina Hagvall
Contact dermatitis, Journal article 2016
Journal article

Formation of the Hydroxyl Radical by Radiative Association.
S Karl-Mikael Svensson, Magnus Gustafsson, Gunnar Nyman
The journal of physical chemistry. A, Journal article 2015
Journal article

Showing 1 - 10 of 84

2017

2016

Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited States.
Divya Sharma, W M C Sameera, Stefan Andersson, Gunnar Nyman, Martin J Paterson
Chemphyschem : a European journal of chemical physics and physical chemistry, Journal article 2016
Journal article

Reaction rate constant for radiative association of CF+
J. Ostrom, D. S. Bezrukov, Gunnar Nyman, M. Gustafsson
Journal of Chemical Physics, Journal article 2016
Journal article

Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates
De-quan Yu, He Huang, Gunnar Nyman, Zhi-gang Sun
Chinese Journal of Chemical Physics, Journal article 2016
Journal article

A case of allergic contact cheilitis caused by propolis and honey.
Gunnar Nyman, Lina Hagvall
Contact dermatitis, Journal article 2016
Journal article

2015

Formation of the Hydroxyl Radical by Radiative Association.
S Karl-Mikael Svensson, Magnus Gustafsson, Gunnar Nyman
The journal of physical chemistry. A, Journal article 2015
Journal article

Showing 1 - 10 of 84

Page Manager: Katleen Burm|Last update: 9/20/2013
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