Takip et
Kunitsa Alexander
Kunitsa Alexander
Sr. Quantum Scientist at Xanadu
xanadu.ai üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
9172021
Adaptive pruning-based optimization of parameterized quantum circuits
S Sim, J Romero, JF Gonthier, AA Kunitsa
Quantum Science and Technology 6 (2), 025019, 2021
772021
First-Principles Calculations of the Energy and Width of the 2Au Shape Resonance in p-Benzoquinone: A Gateway State for Electron Transfer
AA Kunitsa, KB Bravaya
The journal of physical chemistry letters 6 (6), 1053-1058, 2015
472015
CAP-XMCQDPT2 method for molecular electronic resonances
AA Kunitsa, AA Granovsky, KB Bravaya
The Journal of Chemical Physics 146 (18), 2017
322017
Scalable molecular GW calculations: Valence and core spectra
D Mejia-Rodriguez, A Kunitsa, E Apra, N Govind
Journal of Chemical Theory and Computation 17 (12), 7504-7517, 2021
262021
FLIP: A flexible initializer for arbitrarily-sized parametrized quantum circuits
F Sauvage, S Sim, AA Kunitsa, WA Simon, M Mauri, A Perdomo-Ortiz
arXiv preprint arXiv:2103.08572, 2021
262021
Basis Set Selection for Molecular Core-Level GW Calculations
D Mejia-Rodriguez, A Kunitsa, E Aprà, N Govind
Journal of Chemical Theory and Computation 18 (8), 4919-4926, 2022
212022
Reducing the cost of energy estimation in the variational quantum eigensolver algorithm with robust amplitude estimation
PD Johnson, AA Kunitsa, JF Gonthier, MD Radin, C Buda, EJ Doskocil, ...
arXiv preprint arXiv:2203.07275, 2022
182022
Electronic structure of the para-benzoquinone radical anion revisited
AA Kunitsa, KB Bravaya
Physical Chemistry Chemical Physics 18 (5), 3454-3462, 2016
162016
Reducing runtime and error in VQE using deeper and noisier quantum circuits
A Katabarwa, A Kunitsa, B Peropadre, P Johnson
arXiv preprint arXiv:2110.10664, 2021
142021
Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation
AA Kunitsa, S Hirata
Physical Review E 101 (1), 013311, 2020
112020
Radiation telomerization of tetrafluoroethylene in tetrahydrofuran
IP Kim, EO Perepelitsyna, AF Shestakov, YM Shul’ga, AA Kunitsa
High Energy Chemistry 45, 475-480, 2011
112011
NWChem: Recent and ongoing developments
D Mejia-Rodriguez, E Aprà, J Autschbach, NP Bauman, EJ Bylaska, ...
Journal of Chemical Theory and Computation 19 (20), 7077-7096, 2023
102023
Comparing classical and quantum ground state preparation heuristics
K Gratsea, JS Kottmann, PD Johnson, AA Kunitsa
arXiv preprint arXiv:2401.05306, 2024
82024
NMR identification of the terminal groups of the telomers of tetrafluoroethylene with tetrahydrofuran
IP Kim, AA Kunitsa, AV Chernyak
Russian Journal of Physical Chemistry A 87, 1845-1850, 2013
62013
Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers
N Bellonzi, A Kunitsa, JT Cantin, JA Campos-Gonzalez-Angulo, ...
arXiv preprint arXiv:2406.06335, 2024
42024
Near-term quantum algorithm for computing molecular and materials properties based on recursive variational series methods
PWK Jensen, PD Johnson, AA Kunitsa
Physical Review A 108 (2), 022422, 2023
42023
Feshbach projection XMCQDPT2 model for metastable electronic states
AA Kunitsa, KB Bravaya
arXiv preprint arXiv:1906.11390, 2019
42019
Обобщённое соотношение Поляни-Семёнова в приложении к мономолекулярным реакциям распада олефинов и виниловых эфиров
АА Куница, АФ Шестаков
Бутлеровские сообщения 29 (3), 13-22, 2012
32012
G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions
D Mejia-Rodriguez, AA Kunitsa, JL Fulton, E Aprà, N Govind
The Journal of Physical Chemistry A 127 (46), 9684-9694, 2023
22023
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Makaleler 1–20