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![]() Kyle Alexander TanovitzBenzene dimer | ![]() George Baffour PipimPhotoredox Catalysis |
![]() Sourav DeyCore-level spectroscopy in condensed phase | ![]() Goran GiudettiPhotoswitches |
![]() Nayanthara JayadevCore-level spectroscopy | ![]() Dr. Yongbin KimQuantum computation |
![]() Madhubani MukherjeeResonances, free-electron | ![]() Pawel WojcikLaser cooling |
![]() Dr. Sarai Dery FolkestadFree electrons | ![]() Dr. Ronit SarangiThesis:
Computational Spectroscopy in Gas and Condensed Phases
(30626 kB) |
![]() Dr. Saikiran Kotaru | ![]() Dr. Kaushik Nanda |
![]() Dr. Sven Kahlerg-tensor | ![]() Dr. Maristella AlessioSingle molecule magnets |
![]() Dr. Tirthendu SenPhotochemistry and properties of fluorescent proteins | ![]() Dr. Sahil GulaniaResonances and photoionization |
![]() Dr. Wojciech SkomorowskiResonances | ![]() Dr. Florian HampeResonances |
![]() Dr. Maxim IvanovMolecules functionalized with optical cycling centers | ![]() Dr. Pavel PokhilkoReduced-cost coupled-cluster methods; spin-forbidden processes; relativistic effects; effective Hamiltonians; single-molecule magnets |
![]() Dr. Yingying MaQM/MM | ![]() Dr. Marwa FaragSinglet fission |
![]() Dr. Alexandre BarrozoModeling charge-transfer in electrochemically active bacteria | ![]() Dr. Ilya KalimanParallel algorithms for electronic structure calculations Tensor decompositions Code development |
![]() Dr. Natalie OrmsNew eigensolvers for EOM-CC methods; open-shell systems | ![]() Dr. Samer GozemezDyson code |
![]() Dr. Arman SadybekovHigh density energy materials | ![]() Dr. Anastasia Gunina |
![]() Dr. Shirin FarajiADC-EFP | ![]() Dr. Atanu AcharyaRedox properties of fluorescent proteins and their chromophores Thesis:
Photoinduced
redox reactions in biologically relevant systems
(8715 kB) |
![]() Dr. Xintian FengSinglet fission | ![]() Bailey QinSinglet fission |
![]() Dr. Marc de WergifosseTwo-photon absorption of molecular switches | ![]() Dr. Matthias SchneiderMetastable electronic states |
![]() Dr. Thomas Jagau | ![]() Dr. Evgeny Epifanovsky |
![]() Dr. Dmitry ZuevTensor decompositions | ![]() Subodh TiwariRedox Properties of Blue Chromophores |
![]() Dr. Kirill KhistyaevIonization of DNA base monomers and dimers studied by EOM-IP-CCSD methods GPU programming | ![]() Dr. Ksenia BravayaIonization of DNA base monomers and dimers studied by EOM-IP-CCSD methods |
![]() Dr. Adèle LaurentProtonation state of photoactive protein QM/EFP studies on biomolecules: implementation of Link Atom scheme | ![]() Dr. Nadia KorovinaElectronic structure of a precursor to the red chromophore |
![]() Dr. Kadir DiriCenter for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species | ![]() Dr. Debashree Ghosh |
![]() 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 |
![]() Dr. Liang TaoCalculation of photoelectron cross sections, Dyson orbitals, angular distributions of photoelectrons | ![]() Dr. Vadim MozhayskiyJahn-Teller Effects Anharmonic vibrational levels and photoelectron spectra of linear N |
![]() Dr. Anna Zadorozhnaya (Golubeva) | ![]() Dr. Melania OanaPhotoionization spectroscopy |
![]() Stanislav Dolgikh | ![]() Dr. Prashant Uday ManoharPerturbative corrections to EOM-CC for excitation energies and spin-flip cases Spin-adaptation MRCC linear response methods |
![]() Robert SchneikerSingle-molecule magnets, effective Hamiltonian | ![]() Dr. Lucasz KoziolPhotoelectron spectroscopy Thesis:
Electronic Structure and Spectroscopy of Excited and
Open-shell Species
(76602 kB) |
![]() Dr. Vitalii VanovschiEffective fragment potentials Radical anions and vibronic interactions | ![]() Dr. Piotr Adam Pieniazek |
Dr. Sergey V. Levchenko
Dr. Tao Wang
Ana-Maria Cristian
Kirill Koshelev
Dr. Peter Itskowitz
Dr. Tatiana Pomerantseva
Victor Olkhovets
Arman Tasheneff
![]() Daniil Izmodenov (REU-2019)Benchmarking of Open-Shell Frozen Natual Orbital Approximation | ![]() Felix Bangerter (REU-2019)Design of Laser-Coolable Molecules |
![]() Julia Lazzari-Dean (REU)Ionization of photoactive proteins | ![]() Roman Konoplev-Esgenburg (REU)Redox properties of fluorescent proteins |
![]() Maria Makarova (REU) | ![]() Eric Sundstrom (REU)Electronic structure of the excited states of water clusters |
![]() Tim Kowalczyk |
Luis Najera (REU-2017)
Alina Arslanova (REU-2016)
Ariana Nussdorf (REU)
Sanja Pudar (REU)
Christina Crecca (REU)