Products: The APPLE&P® force field

APPLE&P® (Atomistic Polarizable Potential for Liquids, Electrolytes, and Polymers) is a quantum-chemistry based, highly transferable atomistic force fields applicable to ionic liquids, organic solvents and solutions, polymers and polymer composites, energetic materials, organic liquid, ionic liquid and polymeric electrolytes, and many other organic and inorganic materials. APPLE&P® has been shown to accurately reproduce thermodynamics, structure, and dynamic/transport properties in crystalline materials, amorphous/liquid materials as well as composites and mixtures and is well suited to handle complex organic/organic and organic/inorganic interfaces.

For more information about the capabilities of APPLE&P®, please check out our brochure. Information about the functional form of APPLE&P® as well as the ability of APPLE&P® to reproduce experimental data for ionic liquids is also available.

Research highlights, projects in which WMI has employed APPLE&P®, a partial list of users of APPLE&P®, and WMI research publications in which APPLE&P® has been utilized can be found under the Science link.

Information on purchasing APPLE&P® (and/or obtaining the free WMI-MD® package) can be found under the APPLE&P® purchasing link. On-site and remote training in the application of APPLE&P® and use of WMI-MD® are also available.

Finally, we are excited to bring to your attention that efforts are underway in a collaboration with SCM to implement APPLE&P® and WMI-MD® within the ADF® computation framework.