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of 82
pro vyhledávání: '"Futamura, Yasunori"'
The eigenvalue density of a matrix plays an important role in various types of scientific computing such as electronic-structure calculations. In this paper, we propose a quantum algorithm for computing the eigenvalue density in a given interval. Our
Externí odkaz:
http://arxiv.org/abs/2112.05395
Autor:
Tamura, Ryo, Matsuda, Momo, Lin, Jianbo, Futamura, Yasunori, Sakurai, Tetsuya, Miyazaki, Tsuyoshi
Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art atomistic simula
Externí odkaz:
http://arxiv.org/abs/2107.14311
Autor:
Huber, Sarah, Futamura, Yasunori, Galgon, Martin, Imakura, Akira, Lang, Bruno, Sakurai, Tetsuya
Contour integration schemes are a valuable tool for the solution of difficult interior eigenvalue problems. However, the solution of many large linear systems with multiple right hand sides may prove a prohibitive computational expense. The number of
Externí odkaz:
http://arxiv.org/abs/2010.10162
Autor:
Alvermann, Andreas, Basermann, Achim, Bungartz, Hans-Joachim, Carbogno, Christian, Ernst, Dominik, Fehske, Holger, Futamura, Yasunori, Galgon, Martin, Hager, Georg, Huber, Sarah, Huckle, Thomas, Ida, Akihiro, Imakura, Akira, Kawai, Masatoshi, Köcher, Simone, Kreutzer, Moritz, Kus, Pavel, Lang, Bruno, Lederer, Hermann, Manin, Valeriy, Marek, Andreas, Nakajima, Kengo, Nemec, Lydia, Reuter, Karsten, Rippl, Michael, Röhrig-Zöllner, Melven, Sakurai, Tetsuya, Scheffler, Matthias, Scheurer, Christoph, Shahzad, Faisal, Brambila, Danilo Simoes, Thies, Jonas, Wellein, Gerhard
We first briefly report on the status and recent achievements of the ELPA-AEO (Eigenvalue Solvers for Petaflop Applications - Algorithmic Extensions and Optimizations) and ESSEX II (Equipping Sparse Solvers for Exascale) projects. In both collaborato
Externí odkaz:
http://arxiv.org/abs/1806.01036
Complex band structures (CBSs) are useful to characterize the static and dynamical electronic properties of materials. Despite the intensive developments, the first-principles calculation of CBS for over several hundred atoms is still computationally
Externí odkaz:
http://arxiv.org/abs/1709.09347
Autor:
Iwase, Shigeru, Futamura, Yasunori, Imakura, Akira, Sakurai, Tetsuya, Tsukamoto, Shigeru, Ono, Tomoya
Publikováno v:
Phys. Rev. B 97, 195449 (2018)
We propose an efficient computational method for evaluating the self-energy matrices of electrodes to study ballistic electron transport properties in nanoscale systems. To reduce the high computational cost incurred in large systems, a contour integ
Externí odkaz:
http://arxiv.org/abs/1709.09324
We propose an efficient way to calculate the electronic structure of large systems by combining a large-scale first-principles density functional theory code, Conquest, and an efficient interior eigenproblem solver, the Sakurai-Sugiura method. The el
Externí odkaz:
http://arxiv.org/abs/1704.03203
Akademický článek
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We propose the reduced-shifted Conjugate-Gradient (RSCG) method, which is numerically efficient to calculate a matrix element of a Green's function defined as a resolvent of a Hamiltonian operator, by solving linear equations with a desired accuracy.
Externí odkaz:
http://arxiv.org/abs/1607.03992
The backpropagation algorithm for calculating gradients has been widely used in computation of weights for deep neural networks (DNNs). This method requires derivatives of objective functions and has some difficulties finding appropriate parameters s
Externí odkaz:
http://arxiv.org/abs/1605.04639