Content on this page requires a newer version of Adobe Flash Player.

Get Adobe Flash player

Services

 

Nanochemistry:

- Functionalization of nanotubes
- Organiic synthesis
- Polyelectrolytes
- TEM imaging

Environmental chemistry:

- Analysis of pollutants
- Purification methods
- Soil and water samples

 

Research Areas

- Toxicology
- Energy Sciences
- Pollution dynamics
- Water pollution circulation
- Life cycle of pollutants
- Heavy Metals
- Molecular interactions
- Environmental remediation
- Waste management
- Exotic Materials

 

 

Fjordforsk A.S. Midtun, 6894 Vangsnes, Norway.
Org.nr: 911659654 | www.fjordforsk.no

Force fields, quantum mechanics and biochemical challenges

 

Collaborating institute:

Prof. David van der Spoel. University of Uppsala, Biomedical Institute, Uppsala, Sweden.

Project duration: 2010 -

Project description:
Implementation of atomic properties for a topology-generating script for the recognition of chemical structures using the GAFF and OPLS/AA force field. Part of the GROMACS molecular simulations package. The project  aims to facilitate the inclusion of organic and inorganic chemical structures as solvents, molecular topologies and ligands in the GROMACS simulation package. The implementation of such molecules facilitates research in organic chemistry, inorganic chemistry and nano- and meso sciences.

Project class: Computational chemistry, predictive methods, molecular simulations, molecular architecture.

Project participants. Manzetti S., van Der Spoel D.

Parallel page: Protein folding at the Computational Systems and Biology.

See relevant publications.

 

 

 

 

 

 

Fjordforsk is a member of the American Chemical Society. Please visit the society following the logo below.

 

News

 

16 Jun.: Study on the atomic, electronic and material properties of MgO nanoparticles. Published in Material Chemistry and Physics.

10 Apr.: New study on semiconducting nanomaterials for spintronics and nanoelectronics published. Read more

27 Okt.: Review on biochemical effects from exhaust emissions published in Pathophysiology. Read more

Home | Collaborations | Publications | Projects | Contact | Services

Content on this page requires a newer version of Adobe Flash Player.

Get Adobe Flash player