Zobrazeno 1 - 10
of 380
pro vyhledávání: '"Teplukhin, A."'
The exponential scaling of complete active space (CAS) and full configuration interaction (CI) calculations limits the ability of quantum chemists to simulate the electronic structures of strongly correlated systems. Herein, we present corner hierarc
Externí odkaz:
http://arxiv.org/abs/2407.21134
Autor:
V. K. Teplukhin, A. N. Ratushnyak
Publikováno v:
Vestnik Permskogo Universiteta: Seriâ Geologiâ, Vol 23, Iss 2, Pp 145-151 (2024)
Рассмотрена методика существенного совершенствования технологии метода локации муфтовых соединений обсадных колонн, заключающегося
Externí odkaz:
https://doaj.org/article/e0baa443cf764b68b2b918e747ee7033
Autor:
Gayday, Igor, Babikov, Dmitri, Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Tretiak, Sergei, Dub, Pavel A.
Publikováno v:
Sci Rep 12, 16824 (2022)
In this work we demonstrate a practical prospect of using quantum annealers for simulation of molecular dynamics. A methodology developed for this goal, dubbed Quantum Differential Equations (QDE), is applied to propagate classical trajectories for t
Externí odkaz:
http://arxiv.org/abs/2110.12096
Autor:
Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Kumar, Ashutosh, Negre, Christian F. A., Anisimov, Petr M., Tretiak, Sergei, Dub, Pavel A.
The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years. The potential
Externí odkaz:
http://arxiv.org/abs/2107.00162
Autor:
Daniel, J. R., Wang, C., Rodriguez, K., Lewis, T., Teplukhin, A., Kendrick, B., Bardeen, C., Hemmerling, B.
Publikováno v:
Phys. Rev. A 104, 012801 (2021)
Aluminum monochloride (AlCl) has been proposed as an excellent candidate for laser cooling. Here we present absorption spectroscopy measurements on the $A^1\Pi \leftarrow X^1\Sigma^+$ transition in AlCl inside a cryogenic helium buffer-gas beam cell.
Externí odkaz:
http://arxiv.org/abs/2105.01211
Autor:
Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Tretiak, Sergei, Dub, Pavel A.
The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To c
Externí odkaz:
http://arxiv.org/abs/2102.01225
Publikováno v:
Sci. Rep. 10 (2020) 20753
Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to solve quan
Externí odkaz:
http://arxiv.org/abs/2009.01373
A theoretical framework and computer code are developed for accurate calculations of coupled rotational-vibrational states in triatomic molecules using hyper-spherical coordinates and taking into account the Coriolis coupling effect. Concise final fo
Externí odkaz:
http://arxiv.org/abs/2002.06156
Several alternative methods for description of interaction between rotation and vibration are compared and contrasted using hyper-spherical coordinates for a triatomic molecule. These methods differ by the choice of z-axis and by the assumption of a
Externí odkaz:
http://arxiv.org/abs/2002.06151
Publikováno v:
J. Chem. Theory Comput. 15 (2019) 4555-4563
Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing hardware have be
Externí odkaz:
http://arxiv.org/abs/1812.05211