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ADFThis software is not currently part of the Software Archive, but was recommended by an user. | |
| Description of Software | The Amsterdam Density Functional (ADF) software package is used by industrial and academic researchers worldwide in computational quantum chemistry. ADF is based on Density Functional Theory, the most popular method for electronic structure calculations. ADF can be applied to molecules in the gas phase, and in a solvent or a protein. The related program BAND treats periodic systems, such as (molecules on) surfaces, polymers, and solids. ADF is particularly popular to shed light on complicated research questions in catalysis, spectroscopy, (bio)inorganic chemistry, heavy element chemistry, surface science, and materials science in general. |
| Submitted | 2008-04-01 |
| Project URL | http://www.scm.com |
