| Systematically improvable multiscale solver for correlated electron systems AA Kananenka, E Gull, D Zgid Physical Review B 91 (12), 121111, 2015 | 113 | 2015 |
| Communication: Towards ab initio self-energy embedding theory in quantum chemistry TN Lan, AA Kananenka, D Zgid The Journal of chemical physics 143 (24), 2015 | 103 | 2015 |
| Fermi resonance in OH-stretch vibrational spectroscopy of liquid water and the water hexamer AA Kananenka, JL Skinner The Journal of Chemical Physics 148 (24), 2018 | 99 | 2018 |
| Accurate and efficient approximation to the optimized effective potential for exchange IG Ryabinkin, AA Kananenka, VN Staroverov Physical Review Letters 111 (1), 013001, 2013 | 73 | 2013 |
| Machine learning for vibrational spectroscopic maps AA Kananenka, K Yao, SA Corcelli, JL Skinner Journal of Chemical Theory and Computation 15 (12), 6850-6858, 2019 | 69 | 2019 |
| Rigorous ab initio quantum embedding for quantum chemistry using Green’s function theory: Screened interaction, nonlocal self-energy relaxation, orbital basis, and chemical … T Nguyen Lan, AA Kananenka, D Zgid Journal of Chemical Theory and Computation 12 (10), 4856-4870, 2016 | 66 | 2016 |
| Accurate long-time mixed quantum-classical Liouville dynamics via the transfer tensor method AA Kananenka, CY Hsieh, J Cao, E Geva The journal of physical chemistry letters 7 (23), 4809-4814, 2016 | 61 | 2016 |
| Efficient temperature-dependent Green’s function methods for realistic systems: Using cubic spline interpolation to approximate Matsubara Green’s functions AA Kananenka, AR Welden, TN Lan, E Gull, D Zgid Journal of chemical theory and computation 12 (5), 2250-2259, 2016 | 51 | 2016 |
| Efficient temperature-dependent Green’s functions methods for realistic systems: Compact grids for orthogonal polynomial transforms AA Kananenka, JJ Phillips, D Zgid Journal of chemical theory and computation 12 (2), 564-571, 2016 | 50 | 2016 |
| Fractional charge and spin errors in self-consistent Green’s function theory JJ Phillips, AA Kananenka, D Zgid The Journal of chemical physics 142 (19), 2015 | 50 | 2015 |
| Convolutional neural networks for long time dissipative quantum dynamics LE Herrera Rodríguez, AA Kananenka The Journal of Physical Chemistry Letters 12 (9), 2476-2483, 2021 | 46 | 2021 |
| Nonadiabatic dynamics via the symmetrical quasi-classical method in the presence of anharmonicity AA Kananenka, CY Hsieh, J Cao, E Geva The Journal of Physical Chemistry Letters 9 (2), 319-326, 2018 | 44 | 2018 |
| Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations AA Kananenka, SV Kohut, AP Gaiduk, IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 139 (7), 2013 | 41 | 2013 |
| A comparative study of different methods for calculating electronic transition rates AA Kananenka, X Sun, A Schubert, BD Dunietz, E Geva The Journal of Chemical Physics 148 (10), 2018 | 28 | 2018 |
| Unusually strong hydrogen bond cooperativity in particular (H 2 O) 20 clusters AA Kananenka, JL Skinner Physical Chemistry Chemical Physics 22 (32), 18124-18131, 2020 | 27 | 2020 |
| A comparative study of different machine learning methods for dissipative quantum dynamics LEH Rodríguez, A Ullah, KJR Espinosa, PO Dral, AA Kananenka Machine Learning: Science and Technology 3 (4), 045016, 2022 | 25 | 2022 |
| IR spectroscopy can reveal the mechanism of K+ transport in ion channels SE Strong, NJ Hestand, AA Kananenka, MT Zanni, JL Skinner Biophysical Journal 118 (1), 254-261, 2020 | 23 | 2020 |
| OH-Stretch Raman Multivariate Curve Resolution Spectroscopy of HOD/H2O Mixtures AA Kananenka, NJ Hestand, JL Skinner The Journal of Physical Chemistry B 123 (24), 5139-5146, 2019 | 17 | 2019 |
| Combining density functional theory and Green’s function theory: Range-separated, nonlocal, dynamic, and orbital-dependent hybrid functional AA Kananenka, D Zgid Journal of Chemical Theory and Computation 13 (11), 5317-5331, 2017 | 14 | 2017 |
| Probing Ion Configurations in the KcsA Selectivity Filter with Single-Isotope Labels and 2D IR Spectroscopy MJ Ryan, L Gao, FI Valiyaveetil, MT Zanni, AA Kananenka Journal of the American Chemical Society 145 (33), 18529-18537, 2023 | 10 | 2023 |
Dominika ZgidProfessor of Chemistry, University of MichiganEmail verificata su umich.edu
