Periodic Reporting for period 1 - VNL (Virtual NanoLab (VNL), a Cross-disciplinary Open Nanotechnology Simulation Platform)
Reporting period: 2017-08-01 to 2018-01-31
The main problems are that simulation tools are often seen as too difficult to use because of lack of documentation and/or missing GUIs for setting up and analysing the results. It is difficult to integrate data between different simulation engines, and there are large license costs associated with commercial GUI solutions.
One of the objectives of the innovation project has been to further develop and optimize VNL by integrating a set of relevant simulation engines with large user bases developed by other SMEs and academic groups into the VNL platform.
We have also started discussions with the FACCTS company, which has the commercial rights for the ORCA code in order to start a collaboration regarding distribution and support of the ORCA code that is beneficial for both the companies. The integration with ORCA and FACCTS is a pilot project and it will provide the framework for integration with other software.
We have also performed market analysis for atomic-scale modelling, to estimate the market size and potentials in different market segments as well as analysing the competition.
VNL can potentially reduce the human resources needed due to time saved in setting up and analysing simulations, a reduced risk of errors due to file conversions and use of standardised methods for setting up simulations, and the option of advanced methods for pre- and post-processing.