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排序方式: 共有75条查询结果,搜索用时 15 毫秒
1.
Jeannette H. C. Woerner 《商业与工业应用随机模型》2005,21(1):27-44
In the framework of stochastic volatility models we examine estimators for the integrated volatility based on the pth power variation (i.e. the sum of pth absolute powers of the log‐returns). We derive consistency and distributional results for the estimators given high‐frequency data, especially taking into account what kind of process we may add to our model without affecting the estimate of the integrated volatility. This may on the one hand be interpreted as a possible flexibility in modelling, for example adding jumps or even leaving the framework of semimartingales by adding a fractional Brownian motion, or on the other hand as robustness against model misspecification. We will discuss possible choices of p under different model assumptions and irregularly spaced data. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
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Panagiotis Kl. Barkoutsos Fotios Gkritsis Pauline J. Ollitrault Igor O. Sokolov Stefan Woerner Ivano Tavernelli 《Chemical science》2021,12(12):4345
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules obtainable from a set of atomic species grow exponentially with the size of the system, limiting the efficiency of classical sampling algorithms. On the other hand, quantum computers can provide an efficient solution to the sampling of the chemical compound space for the optimization of a given molecular property. In this work, we propose a quantum algorithm for addressing the material design problem with a favourable scaling. The core of this approach is the representation of the space of candidate structures as a linear superposition of all possible atomic compositions. The corresponding ‘alchemical’ Hamiltonian drives the optimization in both the atomic and electronic spaces leading to the selection of the best fitting molecule, which optimizes a given property of the system, e.g., the interaction with an external potential as in drug design. The quantum advantage resides in the efficient calculation of the electronic structure properties together with the sampling of the exponentially large chemical compound space. We demonstrate both in simulations and with IBM Quantum hardware the efficiency of our scheme and highlight the results in a few test cases. This preliminary study can serve as a basis for the development of further material design quantum algorithms for near-term quantum computers.‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future. 相似文献
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C. von Korff Schmising M. Bargheer M. Kiel N. Zhavoronkov M. Woerner T. Elsaesser I. Vrejoiu D. Hesse M. Alexe 《Applied physics. B, Lasers and optics》2007,88(1):1-4
Intensity correlations and noise reduction are observed and characterized in the broadband supercontinuum generated by spatio-temporal
solitons propagating in air, i.e., in filamentation of ultrashort laser pulses. Large correlations and reduction of the laser
noise are observed already at the first steps of the filamentation process, while further propagation results in cascaded
χ(3) broadening processes and yield complex correlation maps. The spectral range yielding an optimal laser noise reduction of
3.6 dB is found to cover 10 nm around the fundamental wavelength.
PACS 42.65.Jx; 42.65.Tg; 42.65.Ky; 42.50.Lc 相似文献
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Alves GA Amato S Anjos JC Appel JA Astorga J Bracker SB Cremaldi LM Darling CL Dixon RL Errede D Fenker HC Gay C Green DR Halling AM Jedicke R Karchin PE Kwan S Leuking LH Mantsch PM de Mello Neto JR Metheny J Milburn RH de Miranda JM da Motta Filho H Napier A Passmore D Rafatian A dos Reis AC Ross WR Santoro AF Sheaff M Souza MH Spalding WJ Stoughton C Streetman ME Summers DJ Takach SF Wallace A Wu Z 《Physical review D: Particles and fields》1994,49(9):R4317-R4320
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Alves GA Amato S Anjos JC Appel JA Bracker SB Cremaldi LM Darling CL Dixon RL Errede D Fenker HC Gay C Green DR Jedicke R Kaplan D Karchin PE Kwan S Leedom I Lueking LH Luste GJ Mantsch PM de Mello Neto JR Metheny J Milburn RH de Miranda JM da Motta Filho H Napier A Rafatian A dos Reis AC Reucroft S Ross WR Santoro AF Sheaff M Souza MH Spalding WJ Stoughton C Streetman ME Summers DJ Takach SF Wu Z 《Physical review letters》1993,70(6):722-725
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A.?I.?DanilovEmail author R.?R.?Nazmutdinov T.?T.?Zinkicheva E.?B.?Molodkina A.?V.?Rudnev Yu.?M.?Polukarov J.?M.?Feliu 《Russian Journal of Electrochemistry》2008,44(6):697-708
Mechanism of copper underpotential deposition at stepped faces of platinum single crystals Pt(hkl) is studied using cyclic voltammetry, scanning probe microscopy, and quantum-chemical modelling. It is shown that the first stage of UPD is one-dimensional decoration of the (100)- or (110)-orientated steps, then copper monolayer forms at (111)-terraces. The final stage is the secondary step decoration. Quantum-chemical modelling, with the using of long-distance potentials of the Cu-Pt and Cu-Cu pair interactions, allows estimating the energy of copper adsorption at different structure elements of the substrate (steps, kinks, terraces) and revealing the succession of the adatom monolayer formation; it also provides additional information for the identifying of the nature of voltametric peaks for different stages of the copper adsorption-desorption. 相似文献