Seascape Sponsors ADF-DFT Software Presentation
Materials Modeling at Different Length Scales (MMM-2006)
October 12-14, 2006
Bhabha Atomic Research Centre
Mumbai, India
Main Topics of discussion

Electronic Structure of Molecules and Materials
Atomistic Simulation of Materials including Soft Matter
Materials Simulation within Macroscopic Length Scale
Theoretical Description and Modelling of Molecules and Materials at Different Length Scales
Theoretical and Computational Approaches to Bridging the Length Scales etc.

ADF - the Power Tool for Quantum Chemists!

The Amsterdam Density Functional (ADF) package, supported by Seascape, is software for first-principles electronic structure calculations. ADF is used in such diverse fields as materials science to pharmacochemistry. It is  particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and biochemistry. Indeed, ADF excels in transition and heavy metal compounds. It uses Slater functions, not Gaussian for improved accuracy.

ADF has been developed at the well-known theoretical chemistry groups in Amsterdam (Prof. Baerends), Calgary (Prof. Ziegler), Groningen (Prof. Snijders.

ADF is based on Density Functional Theory (DFT), which has dominated quantum chemistry applications since the early 1990s. DFT gives superior accuracy to Hartree-Fock theory and semi-empirical approaches. In contrast to conventional ab initio methods (MP2, CI, CC), it enables accurate treatment of systems with several hundreds of atoms (or several thousands with QM/MM).

Seascape ( represents SCM in California and India. Seascape R&D Network enables organizations engaged in nanosciences, materials, pharma, biotech and chemical research; to increase the cost-effectiveness and innovation potential of their R&D by tapping into scientific resources from India through contract, collaborative research projects.







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