Project description
New features boost atomistic simulation software SIESTA
SIMUNE ATOMISTICS SL is a Spain-based software manufacturing company that produces scientific software solutions implementing advanced code for simplified use in industrial applications. The EU-funded SIESTA-PRO project will enable the company to further improve and add more functionalities to SIESTA – a well-known open-source programme that performs efficient electronic structure calculations and ab initio molecular dynamics simulations. The improved programme will be able to efficiently analyse large systems (up to thousands of atoms) much faster than competing solutions, thereby reducing the time to market of new materials.
Objective
"The business opportunity detected is that currently no company offers professional support for an ""open source"" code nor a code capable of covering all the needs of the industrial field, with support, guarantee and usability comparable or even better than existing commercial alternative software. SIMUNE takes as a starting point a code developed by the founders of SIMUNE and popular in the scientific community (SIESTA), with the aim of adding improvements and functionalities and as consequence make it competitive versus any existing code right now in the market. The advantages that the solution brings to the customers are:
• Save costs thanks to the efficiency of the code (3/4 times faster than existing solutions)
• Capable of analysing large systems (up to thousands of atoms), which is innovative in the market
• Reduce the time to market of new materials, accelerating their development stage;
• Understanding of the “why” of the results of the measurements (testing) and gives prediction of (next steps)
• To analyze, explore and characterize properties of materials that by other means would not be possible
• To study complex physical and chemical phenomena simplifying them in fundamental parts, treatable by computer simulations
SIMUNE proposes SIESTA-PRO in order to take the use of specialised expertise, highly recognised SIESTA code and all the powerful computational tools a step closer to the market. SIMUNE will start with three niches: Chemicals (e.g. BASF), Electronics (e.g. INFINEON) and Bioscience (e.g. MERCK) market niches. This will have a direct impact in how advanced material industry perform new material developments, which impacts the global economy, and at the same time will lead SIMUNE to become the worldwide reference
During the Phase 1, a feasibility assessment will be conducted by having three independent channels of information gathering and analysis. With the results and data gathered in this study a Business Innovation Plan will be ellaborated."
Fields of science
Programme(s)
Funding Scheme
SME-1 - SME instrument phase 1Coordinator
20018 Donostia San Sebastian
Spain
The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.