Results 31 to 40 of about 100,866 (281)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Numerical integration by the matrix method of boundary value problems for linear inhomogeneous ordinary differential equations of the third order with variable coefficients

Vestnik Samarskogo Gosudarstvennogo Tehničeskogo Universiteta. Seriâ: Fiziko-Matematičeskie Nauki, 2018
The use of the Taylor polynomial of the second degree when approximating the derivatives by finite differences leads to the second order of approximation of the traditional method of nets in the numerical integration of second-order ordinary differential
Vladimir N Maklakov, Yanina G Stelmakh
doaj   +1 more source

Proof of a conjecture by Gazeau et al. using the Gould Hopper polynomials

, 2012
We prove the "strong conjecture" expressed by Gazeau et al. in arXiv:1203.3936v1 [math-ph] about the coefficients of the Taylor expansion of the exponential of a polynomial. This implies the "weak conjecture" as a special case.
C. Vignat, Carmona P., O. Lévêque
core   +2 more sources

Triggered Ferroelectricity in HfO2 From Hybrid Phonons and Higher‐Order Dynamical Charges

Advanced Materials, EarlyView.
We combine first‐principles calculations, LGD theory and group theory to demonstrate the mechanism of hybrid‐triggered ferroelectricity in HfO2${\rm HfO}_2$, enabled by trilinear and quadlinear couplings between stable polar and nonpolar modes. HfO2${\rm HfO}_2$ hosts unconventional interplay between structure modes where substantial contribution to ...
Seongjoo Jung, Turan Birol
wiley   +1 more source

Asymptotic approximations of complex order tangent, Tangent-Bernoulli and Tangent-Genocchi polynomials

Arab Journal of Basic and Applied Sciences
In this study, asymptotic formulas for complex order Tangent, Tangent-Bernoulli, and Tangent-Genocchi polynomials are obtained through the method of contour integration, strategically avoiding branch cuts in the process.
Cristina B. Corcino, Baby Ann Damgo, Roberto B. Corcino, Joy Ann A. Cañete   +3 more
doaj   +1 more source

The evaluation of the order of approximation of the matrix method for numerical integration of the boundary value problems for systems of linear non-homogeneous ordinary differential equations of the second order with variable coefficients. Message 1. Boundary value problems with boundary conditions of the first kind

Vestnik Samarskogo Gosudarstvennogo Tehničeskogo Universiteta. Seriâ: Fiziko-Matematičeskie Nauki, 2016
We present the first message of the cycle from two articles where the rearrangement of the order of approximation of the matrix method of numerical integration depending on the degree in the Taylor’s polynomial expansion of solutions of boundary value ...
Vladimir N Maklakov
doaj   +1 more source

Pattern Formation in Non‐Equilibrium Architected Materials

Advanced Materials Technologies, EarlyView.
This article demonstrates an artificial mechanical system ‐ a robotic metamaterial ‐ as an accessible and versatile platform within which to explore and prescribe the reaction‐diffusion driven pattern formation hitherto associated with comparatively less accessible and versatile non‐equilibrium biological and chemical systems.
Vinod Ramakrishnan, Michael J. Frazier
wiley   +1 more source

A note on moments of derivatives of characteristic polynomials [PDF]

, 2010
We present a simple technique to compute moments of derivatives of unitary characteristic polynomials. The first part of the technique relies on an idea of Bump and Gamburd: it uses orthonormality of Schur functions over unitary groups to compute matrix ...
Dehaye, Paul-Olivier
core  

Cosmographic analysis with Chebyshev polynomials

, 2017
The limits of standard cosmography are here revised addressing the problem of error propagation during statistical analyses. To do so, we propose the use of Chebyshev polynomials to parameterize cosmic distances.
Capozziello, Salvatore, D'Agostino, Rocco, Luongo, Orlando   +2 more
core   +1 more source

Spatial‐Wavelength Multiplexing Error‐Controlled Photonic Analog Computing System

Advanced Science, EarlyView.
A novel photonic integrated circuit prototype implementing the concept of general‐purpose analog computing and demonstrate its capability in radio frequency applications. The chip features a multichannel architecture and performs fully optical analog computation with frequency‐domain parallel processing. An FPGA‐based error‐correction algorithm aims to
Tao Zhu, Bowen Zhu, Shicheng Zhang, Keren Li, Xianchen Wu, Yazhi Pi, Jie Yan, Daigao Chen, Bingli Guo, Xi Xiao, Lei Wang, Xiaochuan Xu, Xuwei Xue, Shanguo Huang, Zizheng Cao, Shaohua Yu   +15 more
wiley   +1 more source