The role of medium size facilities in the HPC ecosystem: the case of the new CRESCO4 cluster integrated in the ENEAGRID infrastructure

Ponti, Giovanni; Palombi, Filippo; Abate, D.; Ambrosino, Fiorenzo; Aprea, Giuseppe; Bastianelli, T.; Beone, F.; Bertini, Robert L.; Bracco, G.; Caporicci, M.; Calosso, B.; Chinnici, Marta; Colavincenzo, Antonio; Cucurullo, A.; D’Angelo, Pasquale; Rosa, Matteo De; Michele, Pasquale De; Funel, Agostino; Furini, Graziano; Giammattei, Dante; Giusepponi, Simone; Guadagni, R.; Guarnieri, Guido; Italiano, Alessandro; Magagnino, S.; Mariano, A.; Mencuccini, G.; Mercuri, C.; Migliori, S.; Ornelli, Patrizia; Pecoraro, Salvatore; Perozziello, A.; Pierattini, Samuele; Podda, S.; Poggi, Fabrizio; Quintiliani, Andrea; Rocchi, Andrea; Sciò, Carlo; Simoni, F.; Vita, Alessandro De

doi:10.1109/hpcsim.2014.6903807

Cited by 132 publications

(91 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The computing resources and the related technical support used for this work have been provided by CRESCO/ENEAGRID High Performance Computing infrastructure and its staff. [59] CRESCO/ENEAGRID High Performance Computing infrastructure is funded by ENEA, the Italian National Agency for New Technologies, Energy and Sustainable Economic Development and by Italian and European Research Programmes, see http://www.cresco.enea.it/english for information.…”

Section: Acknowledgementsmentioning

confidence: 99%

N‐Heterocyclic Carbenes and Parent Cations: Acidity, Nucleophilicity, Stability, and Hydrogen Bonding—Electrochemical Study and Ab Initio Calculations

et al. 2016

View full text Add to dashboard Cite

N‐Heterocyclic carbenes (NHCs) are widely used as organocatalysts. Their reactivity (and instability) is related to their basicity and nucleophilicity, which, in turn, are linked to their scaffold. NHCs can be generated by chemical deprotonation or electrochemical reduction of the parent azolium cations, NHCH+s. Cyclic voltammetry enabled the reduction potential of the NHCH+s to be determined; the reduction potential is related to the acidity of the NHCH+s and the oxidation potential of the NHCs, which is related to the nucleophilicity of the NHCs. It was thus possible to order different NHCH+s and NHCs by their acidity and nucleophilicity, respectively. A study on the stability of NHCs was also performed in the absence and in the presence of acetic acid to assess the possibility of the coexistence of NHC and an acid in the same solution, opening the possibility of co‐catalysis. Finally, ab initio calculations confirmed the presence, in DMF, of hydrogen‐bonded NHCH+–NHC adducts, which could influence catalyst activity.

show abstract

Section: Acknowledgementsmentioning

confidence: 99%

N‐Heterocyclic Carbenes and Parent Cations: Acidity, Nucleophilicity, Stability, and Hydrogen Bonding—Electrochemical Study and Ab Initio Calculations

et al. 2016

View full text Add to dashboard Cite

show abstract

“…The computing resources for this work have been provided by CRESCO/ENEAGRID High Performance Computing infrastructure and its staff [33]. CRESCO/ENEAGRID High Performance Computing infrastructure is funded by ENEA, the Italian National Agency for New Technologies, Energy and Sustainable Economic Development and by Italian and European research programs, see http://www.cresco.enea.it/english for information.…”

Section: Acknowledgmentsmentioning

confidence: 99%

Local environment dependance of the water diffusion energy barrier onto the (101) anatase surface

Agosta¹,

Gala²,

Zollo³

2016

AIP Conference Proceedings

View full text Add to dashboard Cite

“…The ability to exploit techniques for parallel calculations is fundamental to achieve statistically significant results within a reasonable time. The computing resources and the related technical support used for this work are provided by the CRESCO/ENEAGRID High Performance Computing infrastructure [13]. The CRESCO/ENEAGRID infrastructure is funded by ENEA, the Italian National Agency for New Technologies, Energy and Sustainable Economic Development and by national and European research programs.…”

Section: Acknowledgementsmentioning

confidence: 99%

Quantification of the validity of simulations based on Geant4 and FLUKA for photo-nuclear interactions in the high energy range

et al. 2017

View full text Add to dashboard Cite

Abstract. Photo-nuclear interactions are relevant in many research fields of both fundamental and applied physics and, for this reason, accurate Monte Carlo simulations of photo-nuclear interactions can provide a valuable and indispensable support in a wide range of applications (i.e from the optimisation of photo-neutron source target to the dosimetric estimation in high energy accelerator, etc). Unfortunately, few experimental photo-nuclear data are available above 100 MeV, so that, in the high energy range (from hundreds of MeV up to GeV scale), the code predictions are based on physical models. The aim of this work is to compare the predictions of relevant observables involving photon-nuclear interaction modelling, obtained with GEANT 4 and FLUKA, to experimental data (if available), in order to assess the code estimation reliability, over a wide energy range. In particular, the comparison of the estimated photo-neutron yields and energy spectra with the experimental results of the n@BTF experiment (carried out at the Beam Test Facility of DaΦne collider, in Frascati, Italy) is here reported and discussed. Moreover, the preliminary results of the comparison of the cross sections used in the codes with the"evaluated' data recommended by the IAEA are also presented for some selected cases (W, Pb, Zn).

show abstract

The role of medium size facilities in the HPC ecosystem: the case of the new CRESCO4 cluster integrated in the ENEAGRID infrastructure

Cited by 132 publications

References 1 publication

N‐Heterocyclic Carbenes and Parent Cations: Acidity, Nucleophilicity, Stability, and Hydrogen Bonding—Electrochemical Study and Ab Initio Calculations

N‐Heterocyclic Carbenes and Parent Cations: Acidity, Nucleophilicity, Stability, and Hydrogen Bonding—Electrochemical Study and Ab Initio Calculations

Local environment dependance of the water diffusion energy barrier onto the (101) anatase surface

Quantification of the validity of simulations based on Geant4 and FLUKA for photo-nuclear interactions in the high energy range

Contact Info

Product

Resources

About