Welcome to CRESCO Virtual Lab CMAST
Computational MAterials Science and Technology

adesion A Virtual Laboratory is a place where new ideas, projects and best practices are shared to solve challenging real applications by exploiting the High Performance Computing (HPC) infrastructures. The concerted efforts of the partecipants to the Lab can accelerate scientific activities with major benefits for the virtual community. Videoconference rooms, documents sharing tools, news and documents are also available. The CMAST Laboratory use extensively the on-line ICT services of ENEA-GRID and particularly the HPC platform CRESCO.


  1. Theoretical searches for innovative materials for energy harvesting and storage symposium, European Materials Research Society Conference, EMRS 2018, Strasbourg, June 18 to 22, 2018.
  2. EoCoE Workshop on HPC for Energy applications, Bruxelles, June 15, 2017
  3. EoCoE offers an ever-expanding NETWORK of experts in High Performance Computing and in Sustainable Energies from Academia, Industry and the Public Sector. EoCoE services are now online: to improve numerical applications, to use new cutting-edge numerical tools and to take advantage of consultancy and training services.
  4. adesionENEA is partner of EoCoE, the European Energy oriented Centre of Excellence for computing applications, Horizon2020 project (2015-2018).
    The ENEA EoCoE project page (in Italian).
  5. adesionENEA is coordinator of EXTREME, network of European infrastructures founded by the KIC EIT Raw Materials. The network EXTREME is based on laboratories, advanced equipment, demo and pilot plants, owned by partners with skills and expertise on substitution/reduction of critical raw materials used under challenging conditions of temperature, wear, friction, loading, corrosion, etc., that are easily reached in several technological and industrial fields, like manufacturing, machining, transport, and construction sectors.
  6. ENEA is now Full Member of ETP4HPC, The European Technology Platform for High Performance Computing.
  7. ENEA Press Release (in Italian): Progettata al computer la formula per detergenti utile anche per studiare i tumori. Published also on "Il Foglietto della Ricerca" and on "GARRnews" (in Italian).
  8. ENEA Press Release (in Italian): All'ENEA l'avanguardia della modellistica molecolare per tagliare i costi dello sviluppo industriale.
  9. Workshop: CMAST Activities, ENEA, Rome, 13.04.2015. Programma.
  10. Webinar (9/4/2015): "A massively parallel non-equilibrium method for fast calculations of the binding free energy in Molecular Dynamics Simulations of ligand-receptor systems". Dr. P. Procacci, Chemistry Dep. University of Firenze.
  11. Workshop: ICT-HPC ENEA, ENEA, Rome, 17.03.2015 (Video and slide)
  12. Seminar: "Silicon heterojunction solar cell research at FZ Julich: development of novel Si-alloys and multiscale simulation". U.Aeberhard and K.Ding, FZ Julich, Germany, 16.02.2015.
  13. OPEN CALL: Research Training Fellowships for graduate and post graduate students (2011-2015). META Project.
  14. Liquid lead corrosion study now featured online on Renewable Energy Global Innovation


  1. Theoretical searches for innovative materials for energy harvesting and storage symposium, European Materials Research Society Conference, EMRS 2018, Strasbourg, June 18 to 22, 2018.
  2. High Performance Computing (HPC) and open platforms for energy technology modelling Workshop. Programme. European Fuel Cell Conference. Naples 12-15 december 2017.
  3. ATMOS 2017, 17th Workshop on Algorithmic Approaches for Transportation Modeling, Optimization, and Systems. Vienna, September 4-8 2017.
  4. ISC High Performance 2017, Frankfurt am Main, Germany, 18 June 2017.
  5. EoCoE Workshop on HPC for Energy applications, Bruxelles, June 15 2017
  6. European HPC Summit Week 2017, Barcelona, 15 May 2017.
  7. Fiera Internazionale per l'Industria Manifatturiera, Torino, 3-5 May 2017
  8. 3rd Edition of NanomeetsBio@Nanomates, Salerno, 16 February 2017.
  9. EERA Conference, Birmingham (UK), 24-25 November 2016.
  10. Supercomputing 2016, Salt Lake City, Utah, USA, 13-18 November 2016.
  11. 8th Conference on Multiscale Materials Modeling, Dijon (France), 9-14 October 2016.
  12. JHPCS'16, JARA-HPC Symposium, Aachen (Germany), 4-5 October 2016.
  13. N&N2016, Nanoscience and Nanotechnology 2016, Rome (Italy), 26-29 September 2016.
  14. NanoInnovation 2016, Rome (Italy), 20-23 September 2016.


Peptide adhesion on TiO2 surface

Peptide folding

Hydrogen desorption from MgH2-Mg interface

Peptide adhesion on carbon nanotube

pulling peptides from a surface.

Peptide adhesion on TiO2 surface side view and top view.

To collaborate or for more information please send an email to "contacts". Last change 01/05/2017.