Infoday horizonte2020-simune v4-elevator_pitch
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Transcript of Infoday horizonte2020-simune v4-elevator_pitch
Jan. 2014 Rev. 4.0.1 [email protected] I www.simune.nanogune.eu
Simune Simulation Services nanoGUNE
CONTACT César Sánchez, Management Consultant [email protected] Ester Sola, Simulation Services Manager [email protected] www.simune.nanogune.eu
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Index
¡ Our Company
¡ Our Offer
¡ How to collaborate
Jan. 2014 Rev. 4.0.1 [email protected] I www.simune.nanogune.eu
Atomic Scale Customized Simulations
for Novel Materials
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Nanoscience & Nanotechnology
KNOWLEDGE TRANSFER TO INDUSTRY through MATERIALS SIMULATIONS
Simune nanoGUNE Simulation Services
2006 2009 2010 2011
1 inversor
2012 2013
Simune ….
Researchers (2013): 90 Admin (2013): 10
PUBLICATIONS 2013: 44… 2012: 58 2011: 28 2010: 42 2009: 36 2008: 32 2007: 15
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• Emilio Artacho (nanoGUNE) • José M. Soler (UAM) • Pablo Ordejón (ICN2) • Juan José Palacios (UAM) • Txema Pitarke (nanoGUNE) • Ester Sola
• César Sánchez
Jan. 2014 Rev. 4.0.1 [email protected] I www.simune.nanogune.eu
EXPERTS PANEL High-level scientists in the
simulations field.
Adding value through knowledge of novel materials and more efficient technologies.
SIMULATIONS Save time and costs!!
Product, process,
technology
Product, process,
technology Simune
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Simulation techniques
First principles
Material properties
Theory
Methods
Algorithms
Computing
Interactions
Quantum correlations
Thermodynamics
Crystal structure
Electronic states
Conductivity
Phase diagram
Excitations
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Study of material properties
o Calculation of electronic states o Thermodynamics o Electronic and ionic transport o Electrical conductivity o Electrochemical mechanisms o Catalytic surfaces o Optical processes o Energy transfer within and among molecules o Phonons: collective excitations o Corrosion o Novel materials
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Technological Assets Ø Exclusive Assets:
Ø SIESTA Ø ANT
Ø Complementary Assets Ø ArgusLab Ø Gamess-UK Ø Atomistix Toolkit
(ATK) Ø Turbomole GmbH Ø VASP Ø MOPAC Ø Virtual NanoLab Ø Quantum Expresso Ø Gaussian 09 Ø CP2K Ø ADF
Ø HyperChem Ø Molekel Ø CASTEP Ø abinit.org Ø Smeagol Ø ONETEP Ø CONQUEST Ø Qbox Ø GAMESS-US Ø Dmol3 Ø Q-CHEM Ø CASINO
methods Density Functional Theory
DFT Molecular Dynamics
MD Monte Carlo
MC
ANT
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nanoGUNE servers 1. 40 cores (Dell PowerEdge server, Intel Xeon processors) 2. 40 cores (Dell PowerEdge server, Intel Xeon processors) 3. 32 cores (HP server, Intel Xeon processors)
Bilbao supercomputer
1. 248 cores (HP Integrity server, Intel Itanium 2 processors) 2. 40 cores (HP ProLiant DL585 server, AMD Opteron processors) 3. 1112 cores (BullX cluster, Intel Xeon processors)
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automotive
aerospatial
glass and ceramics
electronics
displays and lighting
energy and electricity
environment
steel & metal makers
chemical and petrochemical
pharma biotech
mining and drilling
ATOMIC SIMULATIONS
MATERIALS FOR ENERGY
ELECTRONIC DEVICES
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nanodevices SemiConductors (Si, Ge)
organic SC displays
LED’s and OLED’s (Pb free) magnetic recording
Blu-rays MRAM
ferroelectrics piezoelectrics multiferroics
Electronics
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Energy solar cells fuel batteries Li electrode ceramics graphene CO2 capture energy storage systems catalytic materials thermal storage nanorefrigeration
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Collaboration and cooperation within R&D projects
and consortia
R & D projects
We carry out Projects and Simulations using the most appropriate techniques
to suit your requirements
Simulations
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Jan. 2014 Rev. 4.0.1 [email protected] I www.simune.nanogune.eu
S imune
CIC nanoGUNE
Tolosa Hiribidea, 76 E-20018 Donostia-San Sebastian + 34 943 574 000 [email protected] www.simune.nanogune.eu
“The big Challenge of the small”