Methodology for electronic excitations

Content tagged with Methodology for electronic excitations

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Cedric Flamant

Person

Cedric earned his Ph.D in physics in 2020 studying methods development in density functional theory. His research examines applications of time-dependent density functional theory to aid in excitonic simulations, as well as an extension of TDDFT using...

Dmitry Vinichenko

Person

Dmitry Vinichenko is currently a graduate student in the group. He is working on modeling the photo-catalyzed processes, in particular alcohol oxidation on titania, using a combination of delta-SCF approach for excitation creation and Ehrenfest dynamics...

Grigory Kolesov

Person

Grigory works on the development and application of time-dependent density-functional theory. Currently, he is working on developing imaginary-time time-dependent density-functional theory in conjunction with path-integral technique as a means of going...

Oscar Granas

Person

Current affiliation

Current position: Senior Researcher, Docent

Oscar's research interest is primarily the dynamics of electronic and magnetic excitations in solids and nano systems. He develops time-dependent density functional theory and extensions...

Bibliographic References tagged with Methodology for electronic excitations

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Kolesov G, Vinichenko D, Tritsaris G, Friend C, Kaxiras E. Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C−H Acidity Mechanism of Methoxy Photo-oxidation on Titania. Journal of Physical Chemistry Letters. 2015;6:1624–1627.
Kolesov G, Vinichenko D, Tritsaris G, Friend C, Kaxiras E. Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C−H Acidity Mechanism of Methoxy Photo-oxidation on Titania. Journal of Physical Chemistry Letters. 2015;6:1624–1627.
Tritsaris G, Vinichenko D, Kolesov G, Friend C, Kaxiras E. Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study. Journal of Physical Chemistry C . 2014;118:27393–27401.
Tritsaris G, Vinichenko D, Kolesov G, Friend C, Kaxiras E. Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study. Journal of Physical Chemistry C . 2014;118:27393–27401.
Tritsaris G, Malone B, Kaxiras E. Structural stability and electronic properties of low-index surfaces of SnS. Journal of Applied Physics. 2014;115:173702.
Tritsaris G, Malone B, Kaxiras E. Structural stability and electronic properties of low-index surfaces of SnS. Journal of Applied Physics. 2014;115:173702.
Tritsaris G, Malone B, Kaxiras E. Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study. Journal of Applied Physics. 2013;113:233507.
Tritsaris G, Malone B, Kaxiras E. Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study. Journal of Applied Physics. 2013;113:233507.
Tritsaris G, Mathioudakis C, Kelires P, Kaxiras E. Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study. Journal of Applied Physics. 2012;112:103503.
Tritsaris G, Mathioudakis C, Kelires P, Kaxiras E. Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study. Journal of Applied Physics. 2012;112:103503.