Latest Developments


Partnership with SCM

WMI's partnership with SCM (Scientific Computing and Modeling) brings together complimentary technologies that will greatly benefit the molecular modeling community. SCM is the developer of the powerful and versatile ADF® (Amsterdam Density Function) computational package. The primary goal of the SCM-WMI partnership will be to integrate the molecular dynamics simulation capabilities of WMI within the ADF® computational framework, including our highly accurate, transferable APPLE&P® force field and our robust and efficient molecular dynamics simulation engine WMI-MD®. These efforts are already underway and will result in a uniquely powerful and versatile computational package that will serve many of the computational chemistry needs of the chemistry, physics and materials science communities. The SCM-WMI partnership will also facilitate development and implementation of more efficient methodologies for handling computationaly intensive calculations such as treament of long-range electrostatic interactions and many-body polarization interactions. We will also be developing and implementing tools that will facilitate the development of quantum chemistry based force fields, making it straightforward for the user to expand the capabilites of APPLE&P® and ReaxFF®.