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Dr. Anna Krylov, Professor of Chemistry
I like EOM-CC methods, open-shells, molecular orbitals and Hückel
theory, spectroscopy, second quantization, size-extensive wave
functions, C++ and EOM-CC. Why did I mention EOM-CC twice?
Because I really like it!
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Students and postdocs
 Atanu AcharyaRedox potential of model red chromophore in different solvents |
 Dr. Ksenia BravayaElectronic structure of model charge transport systems: from helium dimer to DNA Understanding photoactive proteins in gas phase and in realistic environments |
 Dr. Kadir DiriCenter for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species |
 Dr. Evgeny EpifanovskyUnderstanding photoactive proteins in gas phase and in realistic environments |
 Xintian Feng |
 Anastasia GuninaThermodynamics of the ionized CH2CH2OH radical |
 Kirill KhistyaevIonization of DNA base monomers and dimers studied by EOM-IP-CCSD methods |
 Nadia KorovinaElectronic structure of a precursor to the red chromophore |
 Dr. Adèle LaurentProtonation state of photoactive protein QM/EFP studies on biomolecules: implementation of Link Atom scheme |
 Julia Lazzari-Dean (REU)Ionization of photoactive proteins |
 Natalie Orms (REU)Ionization studies of microhydrated nucleic acid bases using EOM-IP-CCSD methods |
 Subodh TiwariRedox Properties of Blue Chromophores |
 Dmitry ZuevUnderstanding photoactive proteins in gas phase and in realistic environments |
Group gallery
Former group members and visiting scholars
 Dr. Debashree GhoshEFP method for extended systems Electronic structure of model charge transport systems: from helium dimer to DNA |
 Dr. Tomasz KusDevelopment and implementation of CC and EOM-CC methods |
 Dr. Yves BernardElectronic structure of ionized non-natural nucleobases Noncollinear Spin-Flip Time-Dependent Density Functional Theory |
 Dr. Arik (Arie) LandauDevelopment and benchmarking within the EOM-CC formalism: Frozen Natural Orbitals (FNO) for ionized systems |
 Dr. Eugene KamarchikNuclear dynamics on excited state potential energy surfaces |
 Maria Makarova (REU) |
 Dr. Liang TaoCalculation of photoelectron cross sections, Dyson orbitals, angular distributions of photoelectrons |
 Dr. Vadim MozhayskiyJahn-Teller Effects Topology of the complicated Jahn-Teller intersection in the cyclic trinitrogen cation |
 Dr. Anna Zadorozhnaya (Golubeva) |
 Dr. Melania OanaPhotoionization spectroscopy Complex photodissociation dynamics of the weakly bound covalent NO dimer |
 Stanislav Dolgikh |
 Dr. Prashant Uday ManoharPerturbative corrections to EOM-CC for excitation energies and spin-flip cases Spin-adaptation MRCC linear response methods |
 Dr. Lucasz KoziolExcited states of vinylic hydrocarbon radicals Photoelectron spectroscopy
Thesis:
Electronic Structure and Spectroscopy of Excited and
Open-shell Species
(76602 kB)
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 Dr. Vitalii VanovschiEffective fragment potentials Radical anions and vibronic interactions |
 Dr. Piotr Adam Pieniazek (pap@usc.edu) |
 Eric Sundstrom (REU)Electronic structure of the excited states of water clusters |
 Tim Kowalczyk |
Dr. Sergey V. Levchenko
Dr. Tao Wang
Ariana Nussdorf (REU)
Ana-Maria Cristian
Kirill Koshelev
Prof. Richard Wheatley (UK)
Sanja Pudar (REU)
Christina Crecca (REU)
Prof. Pavel Jungwirth (Czech Republic)
Dr. Peter Itskowitz
Dr. Tatiana Pomerantseva
Victor Olkhovets
Arman Tasheneff