Welcome to CRESCO Virtual Lab CMAST
Computational MAterials Science and Technology

adesion In a Virtual Laboratory new ideas, projects and best practices are shared to solve challenging applications by exploiting High Performance Computing (HPC) infrastructures. The concerted efforts of the partecipants to the Lab accelerate scientific activities with major benefits for the virtual community. The CMAST Laboratory use extensively the on-line ICT services of ENEA-GRID and particularly the HPC platform CRESCO.


  1. Workshop Towards Exascale Supercomputers for Nanotechnology. Nanoinnovation 2019 Conference. Rome 11-14 June 2019.
  2. cover A figure of the paper "Computational characterization of a-Si:H/c-Si interfaces" (P.Czaja, U.Aeberhard, M.Celino, S.Giusepponi and M.Gusso) has been chosen as cover for the last 2018 volume of the Journal of Computational Electronics.
  3. New European projects approved : EoCoE-II and FocusCoE
  4. CLEAN ENERGY: a proposal for a new Flagship in the field of energy.
  5. Renewable Energy meets High Performance Computing. Final Conference of the Energy-Oriented Centre of Excellence EoCoE. Nicosia, Cyprus. 17-18 September 2018.
  6. Materials aided design of innovative materials Thematic Session. Nanoinnovation 2018 Conference. Rome. 11-14 September 2018.
  7. Theoretical searches for innovative materials for energy harvesting and storage symposium, European Materials Research Society Conference, EMRS 2018, Strasbourg, June 18 to 22, 2018.
  8. Joint EERA AMPEA - EoCoE Workshop, Brussels, Belgio, 7 June 2018. Link to the videos.
  9. Opening meeting for the new ENEA supercomputer CRESCO6. Portici (Na). May 30, 2018.
  10. EoCoE Workshop on HPC for Energy applications, Bruxelles, June 15, 2017
  11. 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).

Past news

  1. High Performance Computing (HPC) and open platforms for energy technology modelling Workshop. Programme. European Fuel Cell Conference. Naples 12-15 december 2017.
  2. EoCoE Workshop on HPC for Energy applications, Bruxelles, June 15 2017
  3. EERA Conference, Birmingham (UK), 24-25 November 2016.
  4. N&N2016, Nanoscience and Nanotechnology 2016, Rome (Italy), 26-29 September 2016.
  5. NanoInnovation 2016, Rome (Italy), 20-23 September 2016.
  6. ENEA is now Full Member of ETP4HPC, The European Technology Platform for High Performance Computing.
  7. Workshop: CMAST Activities, ENEA, Rome, 13.04.2015.
  8. 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.
  9. 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).
  10. ENEA Press Release (in Italian): All'ENEA l'avanguardia della modellistica molecolare per tagliare i costi dello sviluppo industriale. Programma.
  11. 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.
  12. Workshop: ICT-HPC ENEA, ENEA, Rome, 17.03.2015 (Video and slide)
  13. 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.
  14. OPEN CALL: Research Training Fellowships for graduate and post graduate students (2011-2015). META Project.
  15. Liquid lead corrosion study now featured online on Renewable Energy Global Innovation


Heterojunction Solar Cell: the modeling of interfaces

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 01/04/2018.
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