KintechDB

Overview

KintechDB^® is the integrated network-based cross-platform multi-level information system for storage and management of the fundamental physicochemical information in research collectives.

With increasing power of the computers the solution of the applied problems with the aid of modeling, based on detailed physicochemical mechanisms, became more preferable in terms of time and resources. One of the most important features of this modeling approach is the application of the physicochemical mechanisms, which are derived from the "first-principles", thus extending the limits of the model application beyond the range, where it was validated. Application of the multi-level approach to the development of the predictive mechanistic models of the physicochemical phenomena and intensive information exchange between specialists from different disciplinary fields is impossible without specially designed information system.

Feature of the predictive modeling	Requirement to information system
Physicochemical mechanism is matter	Storage of the whole information about mechanism Thermodynamic data Elementary processes Transport properties
Multi-scale science	Storage of the information, required for the development of the physicochemical mechanisms from the "first principles"
Multi-disciplinary collaborative science	Simultaneous storage of the information, required for the specialists from the different disciplines Meta-data Integration with the different computational software Data-access rights Track data changes (who? when? why?) Remote access to data

Feature of the predictive modeling

Requirement to information system

Physicochemical mechanism is matter

Storage of the whole information about mechanism

Thermodynamic data
Elementary processes
Transport properties

Multi-scale science

Storage of the information, required for the development of the physicochemical mechanisms from the "first principles"

Multi-disciplinary collaborative science

Simultaneous storage of the information, required for the specialists from the different disciplines

Meta-data
Integration with the different computational software
Data-access rights
Track data changes (who? when? why?)
Remote access to data

KintechDB^®allows:

to input and store the information, obtained at different physical levels for the development of the predictive physicochemical mechanisms

to set the access rights to data for the users and keep the log of the information changes

to work with data through the Internet

KintechDB^® supports the import and export of the information into formats, widely accepted for physicochemical information storage, thus being the integration core of the research collective for information exchange.

KintechDB^® includes the following databases

Mechanisms database
Thermodynamic properties of the individual substances database
Atomic and molecular properties database
Transport properties database
Elementary processes database (chemical reactions, reactions with the electrons, optical processes)

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