![]() DFT calculations are easily prepared and analyzed with an integrated GUI.īAND: Periodic DFT for polymers, surfaces and crystalsīAND is the periodic density functional theory extension of molecular code ADF. A vast range of spectroscopic properties and comprehensive analysis tools yield invaluable insight in chemical structure and reactivity. Heavy elements and transition metals are accurately modeled with ADF's reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table (H-Uuo). The computational chemistry package consists of the following software modules:Īmsterdam Density Functional (ADF): Powerful molecular DFT with unique featuresĪDF is an accurate, parallelized and powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT) methods. SCM's computational chemistry suite is a premium software package for all your material modeling needs. SCM offers a premium-quality, integrated, GUI-supported software suite for modeling the most challenging problems in materials science and chemistry. ![]()
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