![]() ![]() There are two versions of ADF installed on the HPC cluster, 2014.101. The GUI tool of ADF is not installed on the computing nodes of the HPC. Currently only members of Professor Jose Mendoza Cortes' research group have access to this software. The license file is installed on all nodes of the partition mendoza_q. DFT calculations are easily prepared and analyzed with our GUI. 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). ADF (Amsterdam Density Functional) is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory. ![]()
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