Nome progetto |
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-CINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study – continuation DARI-CINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study ANCIENT_ROME - PRACE 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 |
Obiettivi del progetto |
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. ECLIPSIS ExCited states of metaL oxynItrides for PhotocatalySIS. DyMoBoNT Molecular Dynamics simulations of Botulinum Neuro Toxins. DARI-CINES-GENCI Botulinium NeuroToxins structure-function-dynamics: a computational study – continuation DARI-CINES-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. |
Data di inizio e fine |
COVID-19 Fast Track PROGETTO CONCLUSO: 2020. OBaMPhoS PROGETTO CONCLUSO: 2022-2023 NEWTONS PROGETTO CONCLUSO: 2019-2020 NanoElOp PROGETTO CONCLUSO: 2018-2019 ECLIPSIS PROGETTO CONCLUSO: 2019-2020 DyMoBoNT PROGETTO CONCLUSO: 2020-2021 DARI-CINES-GENCI PROGETTO CONCLUSO: 2020-2021 DARI-CINES-GENCI PROGETTO CONCLUSO: 2019-2020 ANCIENT_ROME PROGETTO CONCLUSO 2019-2020 SENT_TO_NY PROGETTO CONCLUSO: 2018-2019 MDNICO PROGETTO CONCLUSO: 2017-2018 STREET-OF-NY PROGETTO CONCLUSO: 2017-2018 |
Responsabile del progetto |
COVID-19 Fast Track: Letizia Chiodo, Co-Responsabile. OBaMPhoS: Letizia Chiodo, Responsabile NEWTONS: Letizia Chiodo, Responsabile NanoElOp: Letizia Chiodo, Responsabile ECLIPSIS: Letizia Chiodo, Responsabile DyMoBoNT Letizia Chiodo, Co-Responsabile DARI-CINES-GENCI, continuation: Letizia Chiodo, Co-Responsabile DARI-CINES-GENCI: Letizia Chiodo, Co-Responsabile ANCIENT_ROME Letizia Chiodo, Co-Responsabile SENT_TO_NY Letizia Chiodo, Co-Responsabile MDNICO Letizia Chiodo, Co-Responsabile STREET-OF-NY Letizia Chiodo, Co-Responsabile |
Istituzione coordinatrice del progetto |
COVID-19 Fast Track: Istituto Italiano di Tecnologia e CNR-IAC OBaMPhoS: Università Campus Bio-Medico di Roma NEWTONS: Università Campus Bio-Medico di Roma NanoElOp: Università Campus Bio-Medico di Roma ECLIPSIS: Università Campus Bio-Medico di Roma DyMoBoNT: Università di Palermo DARI-CINES-GENCI, continuation: Istituto Pasteur e CNRS, Parigi DARI-CINES-GENCI: Istituto Pasteur e CNRS, Parigi ANCIENT_ROME Università di Modena e Reggio Emilia SENT_TO_NY Università di Modena e Reggio Emilia MDNICO - DECI-14 Università di Palermo STREET-OF-NY Università di Modena e Reggio Emilia |
Altre Istituzioni coinvolte |
COVID-19 Fast Track Università Campus Bio-Medico di Roma OBaMPhoS: Università di Modena e Reggio Emilia NEWTONS: Università di Modena e Reggio Emilia NanoElOp: Università di Modena e Reggio Emilia ECLIPSIS: Università di Modena e Reggio Emilia DyMoBoNT: Università Campus Bio-Medico di Roma DARI-CINES-GENCI, continuation: Università Campus Bio-Medico di Roma, Università di Palermo DARI-CINES-GENCI: Università Campus Bio-Medico di Roma, Università di 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 |
Fonte/i di finanziamento |
COVID-19 Fast Track Associazione Big Data COVID-19 Fast Track and ENEA, Italy OBaMPhoS ISCRA-CINECA, Italy NEWTONS ISCRA-CINECA, Italy NanoElOp ISCRA-CINECA, Italy ECLIPSIS PRACE – Partnership for Advanced Computing in Europe DyMoBoNT PRACE-DECI Distributed European Computing Initiative DARI-CINES-GENCI, continuation GENCI (Grand Equipement National de Calcul Intensif), France DARI-CINES-GENCI GENCI (Grand Equipement National de Calcul Intensif), France ANCIENT_ROME PRACE – Partnership for Advanced Computing in Europe SENT_TO_NY PRACE – Partnership for Advanced Computing in Europe MDNICO PRACE-DECI Distributed European Computing Initiative STREET-OF-NY PRACE – Partnership for Advanced Computing in Europe) |
Valore economico del progetto |
NanoElOp: Estimated equivalent minimum cost ca. 60000 euro. ECLIPSIS: Estimated equivalent minimum cost ca. 190000 euro. DARI-CINES-GENCI, continuation equivalent to 24840 euros, estimate from DARI-CINES-GENCI DARI-CINES-GENCI, equivalent to 121000 euros, estimate from DARI-CINES-GENCI ANCIENT_ROME Estimated equivalent minimum cost ca. 190000 euro SENT_TO_NY Estimated equivalent minimum cost ca. 190000 euro MDNICO Estimated equivalent minimum cost ca. 25000 euro STREET-OF-NY Estimated equivalent minimum cost ca. 240000 euro |