Pregled bibliografske jedinice broj: 1000388
Density functional theory and beyond for solar energy conversion
Density functional theory and beyond for solar energy conversion // Workshop on Solar Energy Materials
Zagreb, Hrvatska, 2019. (pozvano predavanje, nije recenziran, neobjavljeni rad, znanstveni)
CROSBI ID: 1000388 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Density functional theory and beyond for solar
energy conversion
Autori
Lončarić, Ivor
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
Workshop on Solar Energy Materials
Mjesto i datum
Zagreb, Hrvatska, 09.05.2019. - 10.05.2019
Vrsta sudjelovanja
Pozvano predavanje
Vrsta recenzije
Nije recenziran
Ključne riječi
density functional theory
Sažetak
First principles modelling offers atomistic view and understanding of material properties. With the rising computational power, high- throughput computational screening for materials with desired properties became possible. Therefore, first principles material modelling interfaced with data science techniques has potential to become cheaper and more productive laboratory for new materials discovery. In this talk I will introduce main concepts of first principles material modelling (mainly density functional theory) and show some examples of both, using first principles modelling to get atomistic view on specific materials, and using first principles modelling for high-throughput computational screening.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
