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Pregled bibliografske jedinice broj: 1234135

Modeling ultrafast photoinduced dynamics of adsorbates on metals

Lončarić, Ivor
Modeling ultrafast photoinduced dynamics of adsorbates on metals // CECAM Flagship Workshop: Light-matter interaction and ultrafast nonequilibrium dynamics in plasmonic materials
Warwick, Ujedinjeno Kraljevstvo, 2022. str. 9-9 (pozvano predavanje, podatak o recenziji nije dostupan, sažetak, znanstveni)

CROSBI ID: 1234135 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Modeling ultrafast photoinduced dynamics of adsorbates on metals

Autori
Lončarić, Ivor

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
CECAM Flagship Workshop: Light-matter interaction and ultrafast nonequilibrium dynamics in plasmonic materials / - , 2022, 9-9

Skup
CECAM Flagship Workshop "Light-matter interaction and ultrafast nonequilibrium dynamics in plasmonic materials"

Mjesto i datum
Warwick, Ujedinjeno Kraljevstvo, 18.07.2022. - 21.07.2022

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Podatak o recenziji nije dostupan

Ključne riječi
density functional theory ; molecular dynamics ; machine learning potentials

Sažetak
I will present theoretical approaches for modeling the dynamics of molecules on metal surfaces induced by short laser pulses. Modeling is based on a density functional theory derived potential energy surface and the two-temperature model. Coupling of the adsorbates to the electronic system is modeled in terms of electronic friction and associated stochastic forces that depend on electronic temperature obtained from the two- temperature model. Using this methodology we have simulated systems such as O2/Ag(110) [1, 2], CO/Ru(0001) [3], and CO/Pd(111) [4, 5].

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA

Projekti:
HRZZ-UIP-2020-02-5675 - Povećanje prostorne i vremenske skale modeliranja materijala iz prvih principa pomoću strojnog učenja (ExtMatModelML) (Lončarić, Ivor, HRZZ ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Ivor Lončarić (autor)

Poveznice na cjeloviti tekst rada:

members.cecam.org

Citiraj ovu publikaciju:

Lončarić, Ivor
Modeling ultrafast photoinduced dynamics of adsorbates on metals // CECAM Flagship Workshop: Light-matter interaction and ultrafast nonequilibrium dynamics in plasmonic materials
Warwick, Ujedinjeno Kraljevstvo, 2022. str. 9-9 (pozvano predavanje, podatak o recenziji nije dostupan, sažetak, znanstveni)
Lončarić, I. (2022) Modeling ultrafast photoinduced dynamics of adsorbates on metals. U: CECAM Flagship Workshop: Light-matter interaction and ultrafast nonequilibrium dynamics in plasmonic materials.
@article{article, author = {Lon\v{c}ari\'{c}, Ivor}, year = {2022}, pages = {9-9}, keywords = {density functional theory, molecular dynamics, machine learning potentials}, title = {Modeling ultrafast photoinduced dynamics of adsorbates on metals}, keyword = {density functional theory, molecular dynamics, machine learning potentials}, publisherplace = {Warwick, Ujedinjeno Kraljevstvo} }
@article{article, author = {Lon\v{c}ari\'{c}, Ivor}, year = {2022}, pages = {9-9}, keywords = {density functional theory, molecular dynamics, machine learning potentials}, title = {Modeling ultrafast photoinduced dynamics of adsorbates on metals}, keyword = {density functional theory, molecular dynamics, machine learning potentials}, publisherplace = {Warwick, Ujedinjeno Kraljevstvo} }

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