Infoday horizonte2020-simune v4-elevator_pitch

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Euskadi. Programa Europeo de I+D+i, Horizonte 2020. Jornada presentación "Infoday Nanociencias, Materiales avanzados, y Fabricación y Transformación Avanzadas.

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Infoday horizonte2020-simune v4-elevator_pitch

  1. 1. Simune Simulation Services nanoGUNE CONTACT César Sánchez, Management Consultant market.simune@nanogune.eu Ester Sola, Simulation Services Manager e.sola@nanogune.eu www.simune.nanogune.eu Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu
  2. 2. Index ¡  ¡  Our Offer ¡  Jan. 2014 Rev. 4.0.1 Our Company How to collaborate simune@nanogune.eu I www.simune.nanogune.eu
  3. 3. Atomic Scale Customized Simulations for Novel Materials Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu
  4. 4. Researchers (2013): 90 Admin (2013): 10 nanoGUNE Simulation Services PUBLICATIONS 2013: 44… 2012: 58 2011: 28 2010: 42 2009: 36 2008: 32 2007: 15 Nanoscience & Nanotechnology 2006   Simune 2009   2010   2011   KNOWLEDGE TRANSFER TO INDUSTRY through MATERIALS SIMULATIONS 2012   2013   Simune   1  inversor     Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu ….  
  5. 5. •  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 simune@nanogune.eu I www.simune.nanogune.eu
  6. 6. EXPERTS PANEL High-level scientists in the simulations field. SIMULATIONS Save time and costs!! Product, process, technology Simune Product, process, technology Adding value through knowledge of novel materials and more efficient technologies. Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu
  7. 7. Simulation techniques Material properties Theory Interactions Electronic states Methods Quantum correlations Conductivity Algorithms Thermodynamics Phase diagram Computing Jan. 2014 Rev. 4.0.1 First principles Crystal structure Excitations simune@nanogune.eu I www.simune.nanogune.eu
  8. 8. Study of material properties o  o  o  o  o  o  o  o  o  o  o  Jan. 2014 Rev. 4.0.1 Calculation of electronic states Thermodynamics Electronic and ionic transport Electrical conductivity Electrochemical mechanisms Catalytic surfaces Optical processes Energy transfer within and among molecules Phonons: collective excitations Corrosion Novel materials simune@nanogune.eu I www.simune.nanogune.eu
  9. 9. Technological Assets methods Ø  Exclusive Assets: Density Functional Theory Ø  Complementary Assets DFT Molecular Dynamics MD Monte Carlo MC Jan. 2014 Rev. 4.0.1 Ø  SIESTA Ø  ANT 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 simune@nanogune.eu I www.simune.nanogune.eu ANT Ø  Ø  Ø  Ø  Ø  Ø  Ø  Ø  Ø  Ø  Ø  Ø  HyperChem Molekel CASTEP abinit.org Smeagol ONETEP CONQUEST Qbox GAMESS-US Dmol3 Q-CHEM CASINO
  10. 10. 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) Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu
  11. 11. MATERIALS FOR ENERGY energy and electricity automotive aerospatial glass and ceramics environment pharma biotech electronics displays and lighting ELECTRONIC DEVICES Jan. 2014 Rev. 4.0.1 steel & metal makers ATOMIC SIMULATIONS chemical and petrochemical mining and drilling simune@nanogune.eu I www.simune.nanogune.eu
  12. 12. Electronics Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu nanodevices SemiConductors (Si, Ge) organic SC displays LED’s and OLED’s (Pb free) magnetic recording Blu-rays MRAM ferroelectrics piezoelectrics multiferroics
  13. 13. solar cells fuel batteries Li electrode ceramics graphene CO2 capture energy storage systems catalytic materials thermal storage nanorefrigeration Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu Energy
  14. 14. Simulations We carry out Projects and Simulations using the most appropriate techniques to suit your requirements R & D projects Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu Collaboration and cooperation within R&D projects and consortia
  15. 15. Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu
  16. 16. “The big Challenge of the small” Simune CIC nanoGUNE Tolosa Hiribidea, 76 E-20018 Donostia-San Sebastian + 34 943 574 000 market.simune@nanogune.eu www.simune.nanogune.eu Jan. 2014 Rev. 4.0.1 simune@nanogune.eu I www.simune.nanogune.eu

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