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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shakirova A. A., Tomilin F. N., Pomogaev V. A., Vnukova N. G., Churilov G. N., Kudryasheva N. S., Tchaikovskaya O. N., Ovchinnikov S. G., Avramov P. V.
Заглавие : Synthesis, mass spectroscopy detection, and density functional theory investigations of the Gd endohedral complexes of C82 fullerenols
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [18-29-19003 MK]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [0721-2020-0033]; Collaborative NRF-RFBR grant (Korean) [NRF-2019K2A9A1A06100125]; Collaborative NRF-RFBR grant (Russian) [19-53-51005 NIFa RFFI-Korea]; NRF [2021R1A2C1010455]
Место публикации : Computation. - 2021. - Vol. 9, Is. 5. - Ст.58. - ISSN 2079-3197(eISSN), DOI 10.3390/computation9050058
Примечания : Cited References: 41. - The experimental results were funded by RFBR project No. 18-29-19003 MK. The quantum chemical study was funded by project 0721-2020-0033 of the Russian Ministry of Science and Education. The collaboration and coordination of Russian and Korean teams was supported by Collaborative NRF-RFBR grant (Korean ID: NRF-2019K2A9A1A06100125; Russian ID: Project No. 19-53-51005 NIFa RFFI-Korea) and NRF 2021R1A2C1010455 grant
Предметные рубрики: ZETA VALENCE QUALITY
BIOLOGICAL-ACTIVITY
BASIS-SETS
TOXICITY
Аннотация: Gd endohedral complexes of C82 fullerenols were synthesized and mass spectrometry analysis of their composition was carried out. It was established that the synthesis yields a series of fullerenols Gd@C82Ox(OH)y (x = 0, 3; y = 8, 16, 24, 36, 44). The atomic and electronic structure and properties of the synthesized fullerenols were investigated using the density functional theory calculations. It was shown that the presence of endohedral gadolinium increases the reactivity of fullerenols. It is proposed that the high-spin endohedral fullerenols are promising candidates for application in magnetic resonance imaging.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Zobov V. E., Shauro V. P.
Заглавие : Selective control of states of a three-level quadrupolar nucleus using non-selective radio-frequency pulses
Коллективы : International Symposium on Quantum Informatics
Место публикации : Quantum Informatics 2007. Ser. Proceedings of SPIE: SPIE-Int. Soc. Optical Engineering, 2008. - Vol. 7023. - Ст.70230N. - ISBN 0277-786X, DOI 10.1117/12.801921. - ISBN 978-0-8194-7236-6
Примечания : Cited References: 15
Ключевые слова (''Своб.индексиров.''): computation--qutrit--quadrupolar nucleus--magnetic resonance--radio-frequency pulses--computation--magnetic resonance--quadrupolar nucleus--qutrit--radio-frequency pulses--u ,v operator--evolution (co)--quadrupolar nucleus--quadrupole nuclei--quantum informatics--radio frequency (rf) pulses--rf pulses--selective control--rotation
Аннотация: The scheme for obtaining the composite operator of the selective rotation from nonselective RF pulses separated by intervals of free evolution has been proposed for quadrupole nuclei. On an example of three levels, it, has been shown that the rotation by this operator is performed with accuracy comparable with the accuracy of a simple selective RF pulse, but in shorter time.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Shauro V. P.
Заглавие : On time-optimal NMR control of states of qutrits represented by quadrupole nuclei with the spin I=1
Разночтения заглавия :авие SCOPUS: On time-optimal NMR control of states of qutrits represented by quadrupole nuclei with the spin i = 1
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 113, Is. 2. - P181-191. - ISSN 1063-7761, DOI 10.1134/S1063776111060094
Примечания : Cited References: 48. - This work was supported by the Russian Foundation for Basic Research (project no. 09-07-00138) and the Dynasty Foundation.
Предметные рубрики: QUANTUM COMPUTATION
MAGNETIC-RESONANCE
ALGORITHMS
ELEMENTS
PULSES
DESIGN
QUDITS
GATES
Ключевые слова (''Своб.индексиров.''): logical operators--nuclear spins--numerical optimizations--optimality--physical parameters--quadrupole nuclei--qutrits--radio frequencies--rf pulse--three level systems--time dependence--time-optimal--computer control systems--computer simulation--fourier transforms--optimization--quantum computers--resonance--nuclear quadrupole resonance
Аннотация: Elementary logical operators (selective rotation, Fourier transform, controllable phase shift, and SUM gate) are considered for a quantum computer based on three-level systems (qutrits) represented by nuclear spins I = 1 under nuclear magnetic resonance conditions. The computer simulation of the realization of these operators by means of simple and composite selective radiofrequency (RF) pulses and optimized RF pulses is performed. The time dependence of the amplitude of last pulses is found by numerical optimization at different durations. Two variants are proposed for realization of a two-qutrit SUM gate by using one-qutrit or two-qutrit optimized RF pulses. The calculated time dependences of realization errors were used to study the time optimality of different methods for obtaining gates, proposed earlier and in this paper. The advantages and disadvantages of each of the methods are evaluated for different values of physical parameters.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Demontoux F., Lawrence H., Wigneron J.-P., Mironov V. L., Kosolapova L.G., Paillou P., Kerr Y.
Заглавие : Numerical computation of the L-band emission and scattering of soil layers with consideration of moisture and temperature gradients
Коллективы : IEEE International Geoscience and Remote Sensing Symposium (2012 ; July ; 22-27; Munich, Germany)
Место публикации : IEEE International Geoscience and Remote Sensing Symposium (IGRASS): Proceedings. - Munich, 2012. - P.20-23. - ISBN 978-1-4673-1159-5, DOI 10.1109/IGARSS.2012.6352444
Аннотация: In the context of the Soil Moisture and Ocean Salinity mission, we present a study of the emission of rough surfaces at 1.4 GHz and the effects of moisture and temperature gradients. A new approach for the calculation of rough surface scattering and emission at L-band has been validated for the case of scattering from rough surfaces of Gaussian autocorrelation function. This approach relies on the use of ANSYS's numerical computation software HFSS, which in turn solves Maxwell's equations using the Finite Element Method. The interest of this approach is that it can be extended to calculate the emission and scattering of complicated multilayer media. In this paper we present the work we done to use FEM method to compute thermal effects and water infiltration effects in ground. We firstly present the effects of water infiltration in ground then we present results of computations on soils partially or completely frozen.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Aleksandrovsky A. S., Arkhipkin V. G., Kuzey I. E. , Vyunishev A. M., Zaitsev A. I., Zamkov A. V.
Заглавие : Nonlinear optical characterization of spontaneously grown domain structures in SBO crystals
Место публикации : Proceedings of SPIE - The International Society for Optical Engineering. - 2007. - Vol. 6729: ICONO 2007: Coherent and Nonlinear Optical Phenomena (28 May 2007 through 1 June 2007, Minsk, ) Conference code: 70618. - ISBN 0277786X (ISSN); 081946886X (ISBN); 9780819468864 (ISBN), DOI 10.1117/12.751986
Ключевые слова (''Своб.индексиров.''): domains--nonlinear crystals--nonlinear diffraction--nonlinear generation--quasi phase matching--nonlinear crystals--nonlinear diffraction--nonlinear generation--quasi phase matching--computation theory--crystal growth--crystal structure--crystallography--diffraction--phase matching--nonlinear optics
Аннотация: Spontaneously grown partially ordered domain structures in SBO crystals are characterized via nonlinear diffraction. Domains have the form of sheets lying in cb plane with the domain walls oriented perpendicularly to the a crystallographic axis. The thickness of domains varies in quite wide range. The effective thickness of domains contributing to the nonlinear diffraction is determined from Fourier spectrum of inverse superlattice wave vectors to lie between 180 nm and 8 microns. General properties of spatial Fourier spectrum are reproducible from one growth procedure to another, however, details of spectrum noticeably vary. Enhancement factors for random QPM are calculated and found to be of order of several thousand in the near UV.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Shauro V. P., Ermilov A. S.
Заглавие : Implementation of the quantum order-finding algorithm on two qudits
Место публикации : JETP Letters. - 2008. - Vol. 87, Is. 6. - P.334-339. - ISSN 0021-3640, DOI 10.1134/S0021364008060143
Примечания : Cited References: 24
Предметные рубрики: EXPERIMENTAL REALIZATION
FOURIER-TRANSFORM
COMPUTATION
SYSTEMS
GATES
Аннотация: A quantum circuit has been proposed for the algorithm for finding the permutation order on two qudits with the number of levels d(1) and d(2). The sequence of the RF pulses for implementing the algorithm on two quadrupole nuclei I-1 = 7/2 (d(1) = 8) and I-2 = 3/2 (d(2) = 4) has been calculated and the algorithm has been numerically simulated. A method for preparing pseudopure states has been presented. A comparison with the implementation of the algorithm by NMR methods on five qubits has been performed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Ermilov A. S.
Заглавие : Implementation of a quantum adiabatic algorithm for factorization on two qudits
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 6. - P.923-932. - ISSN 1063-7761, DOI 10.1134/S106377611205007X
Примечания : Cited References: 45. - This work was supported by the Russian Foundation for Basic Research, project no. 09-07-00138.
Предметные рубрики: NUCLEAR-MAGNETIC-RESONANCE
ORDER-FINDING ALGORITHM
COMPUTATION
GATES
COMPUTER
ELEMENTS
SPINS
Аннотация: Implementation of an adiabatic quantum algorithm for factorization on two qudits with the number of levels d 1 and d 2 is considered. A method is proposed for obtaining a time-dependent effective Hamiltonian by means of a sequence of rotation operators that are selective with respect to the transitions between neighboring levels of a qudit. A sequence of RF magnetic field pulses is obtained, and a factorization of the numbers 35, 21, and 15 is numerically simulated on two quadrupole nuclei with spins 3/2 (d 1 = 4) and 1 (d 2 = 3).
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shauro V. P.
Заглавие : Exact solutions for time-optimal control of spin I=1 by NMR
Коллективы : Russian Foundation for Basic Research [14-07-31086]
Место публикации : Quantum Inf. Process.: Springer, 2015. - Vol. 14, Is. 7. - P.2345-2355. - ISSN 1570, DOI 10.1007/s11128-015-0999-8. - ISSN 15731332(eISSN)
Примечания : Cited References:34. - The author thanks V.E. Zobov for fruitful discussions. This study was supported by the Russian Foundation for Basic Research, Project No. 14-07-31086.
Предметные рубрики: QUANTUM COMPUTATION
SYSTEMS
Ключевые слова (''Своб.индексиров.''): quantum gate--qutrit--time-optimal control--nuclear magnetic resonance
Аннотация: We consider the problem of time-optimal control of quadrupole nucleus with the spin I = 1 by NMR. In contrast to the conventional methods based on selective pulses, the control is implemented using nonselective pulses separated by free-evolution intervals. Using the Cartan decomposition, the system of equations is obtained for finding parameters of a control field. Partial time-optimal solutions for the important single-qutrit gates (selective rotations and quantum Fourier transform) are found. The strong dependence of minimum gate implementation times on global phase of the gate is observed. The analytical values of minimum times are consistent with the numerical data.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berman G. P., Campbell D. K., Tsifrinovich V. I.
Заглавие : Error correction for a spin quantum computer
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 1997. - Vol. 55, Is. 9. - P5929-5936. - ISSN 0163-1829, DOI 10.1103/PhysRevB.55.5929
Примечания : Cited References: 26
Предметные рубрики: SYSTEMS
COMPUTATION
UNIVERSAL
DYNAMICS
LOGIC
Аннотация: The problems of error correction in a spin quantum computer are discussed. For digital processing in the Ising and Heisenberg chains driven by a resonant electromagnetic field, the simple schemes are suggested which provide correction of errors caused by imperfect pi pulses, and prevent the most significant errors caused by the nonresonant action of rr pulses. The probability of error caused by the Heisenberg interaction during the action of rr pulses is estimated. For quantum computations in spin systems a principal opportunity to correct the phase errors, based on Steane's three quantum-bits scheme, is described.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berman G. P., Campbell D. K., Doolen G. D., Lopez G. V., Tsifrinovich V. I.
Заглавие : Dynamics of a Control-Not gate for a quantum system of two weakly interacting spins
Место публикации : Physica B. - 1997. - Vol. 240, Is. 1-2. - P.61-67. - ISSN 0921-4526, DOI 10.1016/S0921-4526(97)00434-1
Примечания : Cited References: 15
Предметные рубрики: COMPUTER
COMPUTATION
DECOHERENCE
Аннотация: We present the results of computer simulations of dynamics of the quantum Control-Not gate for the system of two spins connected by a weak Ising interaction. It is demonstrated that, for both ''digital'' and ''superposition'' initial conditions, a resonant pi-pulse can provide an adequate implementation of the quantum Contol-Not gate. We also consider the influence of slightly non-resonant pi-pulse and noise on the dynamics of the quantum Control-Not gate.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Prodaivoda G. T., Aleksandrov K. S., Vyzhva S. A., Nazarenko L. V.
Заглавие : Computation of effective elastic constants in anisotropic microseamy rocks
Место публикации : Geol. Geofiz. - 2000. - Vol. 41, Is. 3. - P.436-449. - ISSN 0016-7886
Примечания : Cited References: 25
Предметные рубрики: WAVE-PROPAGATION
SYMMETRY
Ключевые слова (''Своб.индексиров.''): anisotropy--modeling--orientation of microcracks--elastic waves
Аннотация: A generalized method of conditional moments for computation of effective elastic constants of anisotropic rocks with spatially oriented microcracks is considered. The method involves an additional operation of averaging of known solution data for a modeled rock of orthorhombic structure with ellipsoidal microcracks whose semiaxes are oriented along the coordinate axes. The averaging is performed using the distribution function of rock microcrack orientations, which is expanded into a series in terms of generalized spherical functions. The expansion coefficients are determined by an experiment. In calculating the effective elastic constants of anisotropic rocks, there are no constraints on the concentration of microcracks. We have studied the parameters of azimuthal anisotropy of elastic-wave velocities in modeled amphibolites with ellipsoidal hornblende grains oriented along the coordinate axes and with three-planar and spatially oriented systems of microcracks. The obtained results agree with experimental data of ultrasonic determinations of elastic constants for amphibolite samples.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gokhfeld D. M.
Заглавие : Computation of current-voltage characteristics of the SNS junctions
Место публикации : Physica C: ELSEVIER SCIENCE BV, 2007. - Vol. 460: 8th International Conference on Materials and Mechanisms of Superconductivity and High Temperature Superconductors (JUL 09-14, 2006, Dresden, GERMANY). - P807-808. - ISSN 0921-4534, DOI 10.1016/j.physc.2007.04.078
Примечания : Cited References: 8
Предметные рубрики: WEAK LINKS
Ключевые слова (''Своб.индексиров.''): weak link--andreev scattering--subharmonic gap structure--andreev scattering--subharmonic gap structure--weak link--current voltage characteristics--nanowires--reflection--thermal effects--andreev scattering--microbridges--subharmonic gap structure--weak links--josephson junction devices
Аннотация: Simplified model for current-voltage characteristics of weak links (superconductor - normal metal - superconductor junctions, micro-bridges, superconducting nanowires) is suggested. It is based on approach which considers Andreev reflections as responsible for the transfer of dissipative current through the metallic Josephson junction. The current-voltage characteristics of tin microbridges at different temperatures were computed. (c) 2007 Elsevier B.V. All rights reserved.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Sakai S., Ohtomo M., Entani S., Matsumoto Y., Eleseeva N. S., Pomogaev V. A., Naramoto H.
Заглавие : Atomic structure and physical properties of fused porphyrin nanoclusters
Коллективы : JAEA Research fellowship; Russian Scientific Foundation [14-13-00139]
Место публикации : J. Porphyr. Phthalocyanines: World Scientific Publishing, 2014. - Vol. 18, Is. 7. - P.552-568. - ISSN 1088-4246, DOI 10.1142/S1088424614500291. - ISSN 1099-1409
Примечания : Cited References: 66. - This work was supported by JAEA Research fellowship (P. V. A.). P. V. A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. This work was supported by the Russian Scientific Foundation, Project No. 14-13-00139. Authors are grateful for Prof. S. G. Ovchinnikov for fruitful discussions.
Предметные рубрики: AUGMENTED-WAVE METHOD
HOLONOMIC QUANTUM COMPUTATION
INITIO MOLECULAR-DYNAMICS
VAPOR ABSORPTION SPECTRA
BORON-NITRIDE NANOTUBES
ELECTRONIC-STRUCTURE
REDOX REACTIONS
EXCITED-STATES
SPIN-STATES
GRAPHENE
Ключевые слова (''Своб.индексиров.''): nanoclusters--fused porphyrins--electronic structure--mechanical properties
Аннотация: The atomic and electronic structures, mechanical properties and potential barriers of formation of a set of meso–meso β–β fused porphyrin/metalloporphyrin nanopages, nanotapes, nanotubes and 2D nanofabrics were studied by GGA LC-DFT technique using cluster and PBC models. The porphyrin pages of the nanoclusters are connected with each other by graphene fragments formed by meso–meso β–β links. Fusion of all the edges of six porphyrin/metalloporphyrin units produces a novel ~ 1 nm sized molecule of cubic symmetry with a hollow cage inside. It was found that all studied nanoclusters are metastable with formation energies 0.36–7.57 kcal/mol per atom. Under applied mechanical stress, the nanoclusters exhibit superelastic and ultrastrong properties with binding graphene fragments being the weakest links for mechanical rupture. Depending on the spin-dependent reaction pathways, the hollow caged nanoclusters exhibit almost zero or low potential energy barriers (1–10 kcal/mol) during the initial stages of self-assembly. All nanoclusters exibit the main features of the electronic structures of the parent porphyrins, in particular the nature of HOMO/LUMO states and the relative energetic positions of the metal d states. The induced curvature of the hollow cage nanoclusters leads to admixture of more than 2% of the dπ⊥ states to the dσ energy region and formation of vacant superatomic molecular orbitals of d character in cubic ligand field. The Fe-derived hollow-caged nanoclusters reveal extremely high spin states with small energy differences between ferromagnetic and antiferromagnetic configurations, which can be utilized for quantum holonomic computations.
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