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03/07/2023
Computing formation enthalpies through an explainable machine learning method: the case of Lanthanide Orthophosphates solid solutions
In the last decade, the use of Machine and Deep Learning (MDL) methods i...
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05/05/2022
ChASE – A Distributed Hybrid CPU-GPU Eigensolver for Large-scale Hermitian Eigenvalue Problems
As modern massively parallel clusters are getting larger with beefier co...
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06/15/2020
Solving the Bethe-Salpeter equation on massively parallel architectures
The last ten years have witnessed fast spreading of massively parallel c...
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01/13/2020
Rational spectral filters with optimal convergence rate
In recent years, contour-based eigensolvers have emerged as a standard a...
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07/19/2019
The LAPW method with eigendecomposition based on the Hari–Zimmermann generalized hyperbolic SVD
In this paper we propose an accurate, highly parallel algorithm for the ...
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05/25/2018
ChASE: Chebyshev Accelerated Subspace iteration Eigensolver for sequences of Hermitian eigenvalue problems
Solving dense Hermitian eigenproblems arranged in a sequence with direct...
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12/19/2017
Accelerating the computation of FLAPW methods on heterogeneous architectures
Legacy codes in computational science and engineering have been very suc...
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04/11/2017
Non-Linear Least-Squares Optimization of Rational Filters for the Solution of Interior Eigenvalue Problems
Rational filter functions can be used to improve convergence of contour-...
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10/31/2016