Dr. Anna Krylov, Professor of Chemistry and Gabilan Distinguished Professor of Science and Engineering

Wanted Anna Krylov for practicing chemistry without a Gaussian license 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!

ORCID iD iconorcid.org/0000-0001-6788-5016

Dr. Anna Krylov, Professor of Chemistry and Gabilan Distinguished
    Professor of Science and Engineering

Students and postdocs

Dr. Alexandre Barrozo

Dr. Alexandre Barrozo

Modeling charge-transfer in electrochemically active bacteria

Dr. Marwa Farag

Dr. Marwa Farag

Singlet fission

Sahil Gulania

Sahil Gulania

Resonances and photoionization

Dr. Ilya Kaliman

Dr. Ilya Kaliman

Tensor decompositions

Code development

Dr. Kaushik Nanda

Dr. Kaushik Nanda

Non-linear spectroscopy within EOM-CC formalism

Pavel Pokhilko

Pavel Pokhilko

Coupled-cluster methodology

Tirthendu Sen

Tirthendu Sen

Photochemistry and properties of fluorescent proteins

Dr. Wojciech Skomorowski

Dr. Wojciech Skomorowski

Resonances

Group galleryCluster pictures

Former group members and visiting scholars

Natalie Orms

Natalie Orms

New eigensolvers for EOM-CC methods; open-shell systems

Dr. Samer Gozem

Dr. Samer Gozem

ezDyson code

Dr. Arman Sadybekov

Dr. Arman Sadybekov

High density energy materials

Dr. Anastasia Gunina

Dr. Anastasia Gunina

Dyson orbitals

Dr. Shirin Faraji

Dr. Shirin Faraji

ADC-EFP

Dr. Atanu Acharya

Dr. Atanu Acharya

Redox properties of fluorescent proteins and their chromophores

Dr. Xintian Feng

Dr. Xintian Feng

Singlet fission

Bailey Qin

Bailey Qin

Singlet fission

Dr. Marc de Wergifosse

Dr. Marc de Wergifosse

Two-photon absorption of molecular switches

Dr. Matthias Schneider

Dr. Matthias Schneider

Metastable electronic states

Dr. Thomas Jagau

Dr. Thomas Jagau

Complex-scaled methods

Dr. Evgeny Epifanovsky

Dr. Evgeny Epifanovsky

Conical intersections of potential surfaces

Efficent CC/EOM-CC codes

Excited states of biological chromophores

Dr. Dmitry Zuev

Dr. Dmitry Zuev

Complex-scaled EOM-CC

Tensor decompositions

Subodh Tiwari

Subodh Tiwari

Redox Properties of Blue Chromophores

Dr. Kirill Khistyaev

Dr. Kirill Khistyaev

Ionization of DNA base monomers and dimers studied by EOM-IP-CCSD methods

GPU programming

Dr. Ksenia Bravaya

Dr. Ksenia Bravaya

Ionization of DNA base monomers and dimers studied by EOM-IP-CCSD methods

Electronic structure of photoactive proteins

Complex-scaled EOM-CC

Dr. Adèle Laurent

Dr. Adèle Laurent

Protonation state of photoactive protein

QM/EFP studies on biomolecules: implementation of Link Atom scheme

Nadia Korovina

Nadia Korovina

Electronic structure of a precursor to the red chromophore

Dr. Kadir Diri

Dr. Kadir Diri

Center for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species

Dr. Debashree Ghosh

Dr. Debashree Ghosh

Effective fragment potentials (EFP)

Ionization of DNA bases in solution

Dr. Tomasz Kus

Dr. Tomasz Kus

Development and implementation of CC and EOM-CC methods

Dr. Yves Bernard

Dr. Yves Bernard

Electronic structure of ionized non-natural nucleobases

Noncollinear Spin-Flip Time-Dependent Density Functional Theory

Dr. Arik (Arie) Landau

Dr. Arik (Arie) Landau

Development and benchmarking within the EOM-CC formalism: Frozen Natural Orbitals (FNO) for ionized systems

Dr. Eugene Kamarchik

Dr. Eugene Kamarchik

Nuclear dynamics on excited state potential energy surfaces

Dr. Liang Tao

Dr. Liang Tao

Calculation of photoelectron cross sections, Dyson orbitals, angular distributions of photoelectrons

Dr. Vadim Mozhayskiy

Dr. Vadim Mozhayskiy

Jahn-Teller Effects

Anharmonic vibrational levels and photoelectron spectra of linear N

Topological features of the cyclic N

Dr. Anna Zadorozhnaya (Golubeva)

Dr. Anna Zadorozhnaya (Golubeva)

Dr. Melania Oana

Dr. Melania Oana

Dyson orbitals

Photoionization spectroscopy

Complex photodissociation dynamics of the weakly bound covalent NO dimer

Triradicals and diradicals

Stanislav Dolgikh

Stanislav Dolgikh

Dr. Prashant Uday Manohar

Dr. Prashant Uday Manohar

Perturbative corrections to EOM-CC for excitation energies and spin-flip cases

Spin-adaptation

MRCC linear response methods

Dr. Lucasz Koziol

Dr. Lucasz Koziol

Excited states of vinylic hydrocarbon radicals

Photoelectron spectroscopy

Triradicals and diradicals

Dr. Vitalii Vanovschi

Dr. Vitalii Vanovschi

Effective fragment potentials

Radical anions and vibronic interactions

Spectroscopy of radicals in condensed phase

Dr. Piotr Adam Pieniazek

Dr. Piotr Adam Pieniazek

Spectroscopy of radicals in condensed phase

Dr. Sergey V. Levchenko

Dr. Lyudmila V. Slipchenko

Dr. Tao Wang

Ana-Maria Cristian

Kirill Koshelev

Prof. Richard Wheatley (UK)

Prof. Pavel Jungwirth (Czech Republic)

Dr. Peter Itskowitz

Dr. Tatiana Pomerantseva

Victor Olkhovets

Arman Tasheneff

REU students

Julia Lazzari-Dean (REU)

Julia Lazzari-Dean (REU)

Ionization of photoactive proteins

Roman Konoplev-Esgenburg (REU)

Roman Konoplev-Esgenburg (REU)

Redox properties of fluorescent proteins

Maria Makarova (REU)

Maria Makarova (REU)

Eric Sundstrom (REU)

Eric Sundstrom (REU)

Electronic structure of the excited states of water clusters

Tim Kowalczyk

Tim Kowalczyk

Electronic structure and spectroscopy of carbon trioxide

Luis Najera (REU-2017)

Alina Arslanova (REU-2016)

Ariana Nussdorf (REU)

Sanja Pudar (REU)

Christina Crecca (REU)