Advances of Molecular Modelling of Biogeochemical Interfaces - Perspectives For Soil Research - 2009
Biogeochemical interfaces in soil govern numerous soil functions. The processes of their formation and their interactions are fairly complex, and a better understanding of them needs a deep insight even at the atomistic and molecular level. Basic processes, which are involved e.g. in adsorption, govern related transport of chemicals in soils and have a strong impact on ecological buffer functions of soils involved in local, regional and global element cycles. Especially the behaviour and fate of xenobiotics is strongly related to the properties of biogeochemical interfaces in soils.
The focus of this symposium will be on a broad range of molecular modelling methods (from force-field based to ab initio quantum chemical) including Monte Carlo and molecular dynamics techniques and their potential to contribute to better understanding of functionalities of biogeochemical interfaces in soils and help to interpret macroscopic observations in soils. Additionally, the planned symposium is open for the presentation of various experimental techniques combined with molecular modelling studies confirming the importance of such combination for soil research. For example, contribution in the field of microcalorimetry, nano-SIMS, AFM, XANES and similar technologies are warmly welcome.
Invited speakers and their talks:
- Sylvio Canuto (University of São Paulo)
- Andrey G. Kalinichev (Michigan State University)
- James D. Kubicki (Pennsylvania State University)
- Hans Lischka (Czech Academy of Sciences, University of Vienna)
- Marco Antonio Chaer Nascimento (University of Rio de Janeiro)
- Gabriele E. Schaumann (University of Koblenz-Landau)
- Neal T. Skipper (University Collage London)
- Donald L. Sparks (University of Delaware)
The book of abstracts is available online.
A special issue will be published in Geoderma, please click for further information.
Date: 6.10. (9:00 am) - 7.10.2009 (17:00 pm)
Venue: Altes Schloss Dornburg