The chemical industry plays a central role in the discovery and development of materials and chemicals, and it will be the main target market for BigDFT4CHEM. The goal of this project is to assess the market potential of BigDFT, determine the steps needed for commercialization (as Software-as-a-Service) and explore its integration into the NEXTMOL platform - developed by the consortium member Bytelab Solutions - to facilitate its transfer from academia to the market. In addition, BigDFT4CHEM plans to conduct a use case to demonstrate the benefits of the gem.
The objective of the awarded SPI initiative is threefold:
BigDFT is a Density Functional Theory code for the simulation of materials at atomistic level developed by several European research institutions and a flagship code of the H2020 "MAterials design at the eXascale" Centre of Excellence in materials modelling, simulations and design (MaX CoE).
"We are glad to hear that our project has been awarded. One of the first steps will be to assess the market potential and applicability of BigDFT in the chemical industry, with the objective of guiding and co-designing the integration of the code into the NEXTMOL platform in order to optimally meet the needs of future industrial users", stated Monica de Mier, CEO at Bytelab Solutions.
The BigDFT4CHEM consortium, formed by Bytelab Solutions (coordinator), CEA Grenoble, and the Barcelona Supercomputing Center (BSC), unites the scientific knowledge and know-how of the software structure (CEA) with expertise in HPC and massively parallel computing (BSC) and the capacity to commercialize the product (Bytelab).