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![]() Kyle Alexander TanovitzBenzene dimer | ![]() George Baffour PipimPhotoredox Catalysis |
![]() Sourav DeyCore-level spectroscopy in condensed phase | ![]() Dr. Sarai Dery FolkestadFree electrons |
![]() Goran GiudettiPhotoswitches | ![]() Nayanthara JayadevCore-level spectroscopy |
![]() Dr. Sven Kahlerg-tensor | ![]() Dr. Yongbin KimQuantum computation |
![]() Saikiran KotaruSpin-orbit coupling Exchange interactions | ![]() Madhubani MukherjeeResonances |
![]() Dr. Kaushik Nanda | ![]() Ronit Sarangi |
![]() Pawel WojcikLaser cooling |
![]() 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 | ![]() 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)