Institution: CINECA Italian supercomputing centre
Grant type: ISCRA C
Title: Computational study of Ta/Nb perovskite compounds for electro-optical applications
Acronym: OPTIPER
Grant number: HP10C4QHX2
Equivalent CPU core hours: 50 000
Equivalent monetary amount: 7 500 €
Grant type: Interdisciplinary Laboratory for Advanced Simulations (LISA)
Titolo: Solid-state quantum investigation of cheap fructose-based metal organic frameworks with strong SHG response
Acronym: MODEFRUC
Grant number: HPL13PXLVY
Equivalent CPU core hours: 87 500
Equivalent monetary amount: 13 000 €
Grant type: ISCRA C
Title: Quantum modelling of the mode of action of the antimalarial drug piperaquine
Acronym: MODELPIP
Grant number: HP10CVU0HA
Equivalent CPU core hours: 200 000
Equivalent monetary amount: 30 000 €
Grant type: ISCRA C
Title: Quantum mechanical modelling of quinoline drugs
Acronym: QUADRUG
Grant number: HP10CCQHFC
Equivalent CPU core hours: 10 000
Equivalent monetary amount: 1 500 €
Grant type: Interdisciplinary Laboratory for Advanced Simulations (LISA)
Title: Quantum mechanical investigation of active TiO2-based interfaces
Acronym: SURGREEN
Grant number: HPL13PHG19
Equivalent CPU core hours: 180 000
Equivalent monetary amount: 27 000 €
Grant type: Interdisciplinary Laboratory for Advanced Simulations (LISA)
Title: Development of novel materials for pollutant remediation through quantum and semicalssical computational methods
Acronym: MATGREEN
Grant number: LIS1301030
Equivalent CPU core hours: 112 000 (Fermi) + 56 000 (PLX-Eurora)
Equivalent monetary amount: 25 200 €
