Development and testing of new exchange-correlation functionals - DTU Orbit

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Development and testing of new exchange-correlation functionals

Project: PhD

With the same participants

Ab-initio modelling of electronic excitations in nano-structured graphene
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Computational Screening of Energy Materials
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Modeling of level alignment and charge separation at donor/acceptor interfaces
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Computational modelling of electron transport at metal-organic interfaces
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Theoretical Investigation of Plasmonic Materials using Electronic Structure Methods
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Electronic-structure simulations of photo-absorptin properties in extended systems
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Interfacial Electron Transfer of Large Transition Metal Complexes in Condensed Matter Environments
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Computational search for new light harvesting materials for solar-to-fuel energy conversion
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Time dependent density functional theory applied to molecular electronics
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Quantum theory of plasmonic excitations in metallic nanostructures
Project: PhD

Lundgård, Keld Troen (Phd Student)
Jacobsen, Karsten Wedel (Main Supervisor)
Thygesen, Kristian Sommer (Supervisor)

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Status	Current
Period	01-02-11 → 31-01-14

Financing source	Internal funding (public)
Research programme	Institut stipendie (DTU)

ID: 2335994