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SIESTA-PRO: Spanish Initiative for Electronic Simulations with Thousands of Atoms: Código Abierto Con Garantía y Soporte Profesional

GBIERNO DE ESPAÑA - MINISTERIO DE ECONOMÍA Y COMPETITIVIDAD
Funding Program: 
Spanish Government - RETOS Colaboración
Coordinator: 
Mónica García (Simune)
Call: 
MINECO: Government of Spain, Ministry of Economics and Competitiveness
Total funding: 
€ 914.485,25
Contribution to nanoGUNE: 
€ 100.940,60
Research: 
The aim of SIESTA-PRO is taking the open-source SIESTA program (a program for the first-principles simulation of matter and materials) to high standards of competitiveness in international industrial scene. It is a collaboration led by Simune Atomistics Ltd, a company offering simulation services to high-tech industry, with three research institutions as partners. The research groups will develop new key strategic features into SIESTA, while Simune will develop tools to increase its usability in industrial environments.

SIESTA is a well known program for the first-principles simulations of materials, liquids, nanostructures etc, by means of Density-Functional Theory. It started in 1996 and is now used by thousands of academic groups worldwide. Private companies (typically high-tech multinationals dedicated to materials, microelectronics, chemistry, etc) have also used it during these years in spite of its being an open source code, which demands wide knowledge of computing for its use, and no special effort was ever made to conform to industrial needs (it was always research driven). Simune is now interested in widening its applicability in the industrial world, and this project supports this effort.

Partners: 

SIMUNE ATOMISTICS LTD - Spain (coordinator)
CIC NANOGUNE - Spain
MATERIALS RESEARCH CENTER CSIC-UPV/EHU - Spain
UNIVERSIDAD DE CANTABRIA - Spain

SIESTA
Professional Support High-Performance-Computing
Simulations
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