Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Alexander Teplukhin"'
Autor:
Igor Gaidai, Dmitri Babikov, Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Sergei Tretiak, Pavel A. Dub
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-10 (2022)
Abstract 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 trajector
Externí odkaz:
https://doaj.org/article/7faa8a65f129402a852c1f85894ac1e3
Autor:
Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Ashutosh Kumar, Christian F. A. Negre, Petr M. Anisimov, Sergei Tretiak, Pavel A. Dub
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
Abstract 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 p
Externí odkaz:
https://doaj.org/article/db66d16b2e504ce9ba16550b0a62e879
Publikováno v:
PLoS ONE, Vol 17, Iss 2, p e0263849 (2022)
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:
https://doaj.org/article/d6f32a3892b54fc48e2a6d57f15e83fc
Publikováno v:
Molecules, Vol 26, Iss 5, p 1289 (2021)
A theoretical approach is developed for the description of all possible recombination pathways in the ozone forming reaction, without neglecting any process a priori, and without decoupling the individual pathways one from another. These pathways bec
Externí odkaz:
https://doaj.org/article/2b4b2f3254bc486dbfe3cc4011d193c1
Autor:
Alexander Teplukhin
Publikováno v:
Journal of Structural Chemistry. 62:1653-1666
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1d04ec8d27318671f59cccfa6487322c
https://doi.org/10.1134/s0022476621110019
https://doi.org/10.1134/s0022476621110019
Publikováno v:
PLoS ONE, Vol 17, Iss 2, p e0263849 (2022)
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4c2de3f9d590fb6a20f2f9ccc8f15ce6
https://pubmed.ncbi.nlm.nih.gov/35148343
https://pubmed.ncbi.nlm.nih.gov/35148343
Publikováno v:
Journal of Chemical Theory and Computation. 15:4555-4563
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16b1692fde27b5ec82ef9435924ad9cc
https://doi.org/10.1021/acs.jctc.9b00402
https://doi.org/10.1021/acs.jctc.9b00402
Publikováno v:
Molecular Physics. 117:2546-2558
Electronic structure calculations are carried out for the S4 molecule at the CCSD(T)-F12a/VTZ-F12 level of theory to map out its potential energy surface, which possesses a double-well shape with a...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f19911545e24120fb13d6b8255d0219
https://doi.org/10.1080/00268976.2019.1574038
https://doi.org/10.1080/00268976.2019.1574038
Autor:
Taylor N. Lewis, Boerge Hemmerling, Kayla Rodriguez, Brian K. Kendrick, Alexander Teplukhin, Christopher J. Bardeen, John R. Daniel, Chen Wang
Publikováno v:
Physical Review A. 104
Aluminum monochloride (AlCl) has been proposed as an excellent candidate for laser cooling. Here we present absorption spectroscopy measurements on the $A^{1}\mathrm{\ensuremath{\Pi}}\ensuremath{\leftarrow}{X}^{1}{\mathrm{\ensuremath{\Sigma}}}^{+}$ t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::84753fc3d7f65dca05c5895750291735
https://doi.org/10.1103/physreva.104.012801
https://doi.org/10.1103/physreva.104.012801
Autor:
Brian K. Kendrick, Kayla Rodriguez, Shan-Wen Tsai, Boerge Hemmerling, Chen Wang, John R. Daniel, Taylor N. Lewis, Madhav Dhital, Alexander Teplukhin, Christopher J. Bardeen
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55cbc9000d6431a8d5ace939d824edc4
https://doi.org/10.15278/isms.2021.ri08
https://doi.org/10.15278/isms.2021.ri08