Project name |
COVID-19 Fast Track Multiscale simulations of the SARS-CoV-2 spike protein in interaction with the human ACE2 receptor
OBaMPhoS - Class B ISCRA-CINECA project HP10BR58KV, 200k GPU hours, Marconi100.
NEWTONS - Class B ISCRA-CINECA project HP10BHGARA, 1.5 M CPU hours on Marconi100.
NanoElOp - Class B ISCRA-CINECA project HP10B41C1L, 9.5M CPU hours, 2018-19
ECLIPSIS – PRACE Tier0 Project Access-18th.
DyMoBoNT - DECI-16, PRACE Distributed European Computing Initiative
DARI-CHINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study – continuation
DARI-CHINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study
ANCIENT_ROME - PRICE Tier0 Project Access-19th
SENT_TO_NY - PRACE Tier0 Project Access-17th
MDNICO - DECI-14, PRACE Distributed European Computing
STREET-OF-NY - PRACE Tier0 Project Access-14th |
Project objectives |
COVID-19 Fast Track Multiscale simulations of the SARS-CoV-2 spike protein in interaction with the human ACE2 receptor
OBaMPhoS Optical behaviour of BaTaO2N and MgTaO2N for Photoelectrical Water Splitting
NEWTONS NEW photocatalyst materials: Transition metal OxyNitrides Sheets.
NanoElOp towards realistic NANOsized TiO2 particles: ELectronic and OPtical properties Many Body study.
ECLIPSE ExCited states of metal oxynItrides for PhotocatalySIS.
DyMoBoNT Molecular Dynamics simulations of Botulinum Neuro Toxins.
DARI-CHINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study – continuation
DARI-CHINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study
ANCIENT_ROME study of mANy body exCItations in dEfective titaNium dioxide maTeRials by ab-initiO Methods
SENT_TO_NY - PRACE Study of covEred and functioNalized TiO2 nanostrucTures: the role Of maNy-bodY
MDNICO - DECI-14 Molecular dynamics study of ion permeation in wild-type and mutants of the human α7 nicotinic receptor
STREET-OF-NY - PRACE Study of optoelectronic propErties of titanium dioxide nanosystems in the frame OF the manY body perturbation theory. |
Start and end date |
COVID-19 Fast Track PROJECT COMPLETED: 2020.
OBaMPhoS PROJECT COMPLETED: 2022-2023
NEWTONS PROJECT COMPLETED: 2019-2020
NanoElOp PROJECT COMPLETED: 2018-2019
ECLIPSE PROJECT COMPLETED: 2019-2020
DyMoBoNT PROJECT COMPLETED: 2020-2021
DARI-CHINES-GENCI PROJECT COMPLETED: 2020-2021
DARI-CHINES-GENCI PROJECT COMPLETED: 2019-2020
ANCIENT_ROME PROJECT COMPLETED 2019-2020
SENT_TO_NY PROJECT COMPLETED: 2018-2019
MDNIC PROJECT COMPLETED: 2017-2018
STREET-OF-NY PROJECT COMPLETED: 2017-2018 |
Project Manager |
COVID-19 Fast Track: Letizia Chiodo, Co-responsible.
OBaMPhoS: Letizia Chiodo, Responsible
NEWTONS: Letizia Chiodo, Responsible
NanoElOp: Letizia Chiodo, Responsible
ECLIPSE: Letizia Chiodo, Responsible
DyMoBoNT Letizia Chiodo, Co-responsible
DARI-CINES-GENCI, continuation: Letizia Chiodo, Co-responsible
DARI-CHINES-GENCI: Letizia Chiodo, Co-responsible
ANCIENT_ROME Letizia Chiodo, Co-responsible
SENT_TO_NY Letizia Chiodo, Co-responsible
MDNIC Letizia Chiodo, Co-responsible
STREET-OF-NY Letizia Chiodo, Co-responsible |
Coordinating institution of the project |
COVID-19 Fast Track: Italian Institute of Technology and CNR-IAC
OBaMPhoS: Università Campus Bio-Medico di Roma
NEWTONS: Università Campus Bio-Medico di Roma
NanoElOp: Università Campus Bio-Medico di Roma
ECLIPSE: Università Campus Bio-Medico di Roma
DyMoBoNT: University of Palermo
DARI-CINES-GENCI, continuation: Pasteur Institute and CNRS, Paris
DARI-CHINESE-GENCI: Pasteur Institute and CNRS, Paris
ANCIENT_ROME University of Modena and Reggio Emilia
SENT_TO_NY University of Modena and Reggio Emilia
MDNICO - DECI-14 University of Palermo
STREET-OF-NY University of Modena and Reggio Emilia |
Other Institutions involved |
COVID-19 Fast Track Università Campus Bio-Medico di Roma
OBaMPhoS: University of Modena and Reggio Emilia
NEWTONS: University of Modena and Reggio Emilia
NanoElOp: University of Modena and Reggio Emilia
ECLIPSE: University of Modena and Reggio Emilia
DyMoBoNT: Università Campus Bio-Medico di Roma
DARI-CINES-GENCI, continuation: Università Campus Bio-Medico di Roma, University of Palermo
DARI-CHINESE-GENCI: Università Campus Bio-Medico di Roma, University of Palermo
ANCIENT_ROME Università Campus Bio-Medico di Roma
SENT_TO_NY Università Campus Bio-Medico di Roma
MDNICO - DECI-14 Università Campus Bio-Medico di Roma
STREET-OF-NY - PRACE Università Campus Bio-Medico di Roma |
Funding source(s). |
COVID-19 Fast Track Big Data Association COVID-19 Fast Track and ENEA, Italy
OBaMPhoS ISCRA-CINECA, Italy
NEWTONS ISCRA-CINECA, Italy
NanoElOp ISCRA-CINECA, Italy
ECLIPSE PRACE – Partnership for Advanced Computing in Europe
DyMoBoNT PRACE-DECI Distributed European Computing Initiative
DARI-CINES-GENCI, continuation GENCI (Large National Intensive Computing Equipment), France
DARI-CHINES-GENCI GENCI (Large National Intensive Computing Equipment), France
ANCIENT_ROME PRACE – Partnership for Advanced Computing in Europe
SENT_TO_NY PRACE – Partnership for Advanced Computing in Europe
MDNIC PRACE-DECI Distributed European Computing Initiative
STREET-OF-NY PRACE – Partnership for Advanced Computing in Europe) |
Economic value of the project |
NanoElOp: Estimated equivalent minimum cost approx. 60000 euros.
ECLIPSE: Estimated equivalent minimum cost approx. 190000 euros.
DARI-CINES-GENCI, continuation equivalent to 24840 euros, estimate from DARI-CINES-GENCI
DARI-CHINESE-GENCI, equivalent to 121000 euros, estimate from DARI-CINES-GENCI
ANCIENT_ROME Estimated equivalent minimum cost approx. 190000 euros
SENT_TO_NY Estimated equivalent minimum cost approx. 190000 euros
MDNIC Estimated equivalent minimum cost approx. 25000 euros
STREET-OF-NY Estimated equivalent minimum cost approx. 240000 euros |
