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Advance atomic-scale simulation solutions

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."

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Topic(s)

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Funding Scheme

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SME-1 - SME instrument phase 1

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) H2020-EIC-SMEInst-2018-2020

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Coordinator

SIMUNE ATOMISTICS SL
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 50 000,00
Address
AVENIDA DE TOLOSA 76
20018 Donostia San Sebastian
Spain

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Noreste País Vasco Gipuzkoa
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Links
Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 71 429,00
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