Information
Last Update:2021/03/06
Official site
License
Education Community License ver 2.0
http://www.nwchem-sw.org/index.php/Developer
Related keywords |
---|
now 323 Apps
Inquiry / Application RequestAn open-source application for general-purpose quantum chemical calculation, laying emphasis on excited states and time evolution. It is based on time-dependent density functional theory (TDDFT) and the QM/MM calculation. It enables efficient massive parallel computing up to one hundred thousands processes. It supports the relativistic effect and offers the basis choice between the Gaussian basis and the plane-wave basis.
Related keywords |
---|