KIFF Database - Reactive Force Field
Last updated : 2018. 2. 6

About KIFF Reactive Force Field Database

KIFF Reactive Force Field Database is part of KIFF(KIST integrated force field platform). This DB is results from the project "Development of Fundamental Technologies for Computational Nano Science Platform" funded by Ministry of Science, ICT and Future Planning of Korea.
The source of each force field is the papers published in journals to date, and force fields will continue to be added. Each article can be accessed through DOI column.
The description column is the text created with the first line of the original parameter set of the force field or the title of the research paper including the force field.

API

KIFF Database supports the rest api. You can get the list of informations of reactive force fields in KIFF through the following URL.

http://kiff.vfab.org/api/v1/reax

'element', 'author', and 'hash' can be used as search conditions.
For example, you can use the URL below to get information on the reactive force field that supports a list of elements containing carbon and nitrogen created by 'Han'.

http://kiff.vfab.org/api/v1/reax?elements=C,N&author=Han

The contents of information of each force field in 'data' array are:

Key Value Type
id The id of force field in KIFF Number
description Force field description Text
elements List of elements supported by the the force field JSON array
published Date on which the paper containing the force field was published in the journal Text
(yyyy-mm-dd)
author The author(s) of research paper including the force field Text
doi The DOI(Digital Object Identifier) of research paper including the force field Text
hash The hash created by md5 algorithm for error checking of the parameters of the force field Text

You can get each reactive force field by id using the URL below.

http://kiff.vfab.org/api/v1/reax/(id)

The information obtained through the URL includes the following additional content:

Key Value Type
parameters The parameters of the force field Text

Supported by NRF Nano Materials Technology Development Program of Korea