Edoardo di Napoli | DeepAI

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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...

0 Edoardo di Napoli, et al. ∙

∙ 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...

0 Xinzhe Wu, et al. ∙

∙ 06/15/2020

Solving the Bethe-Salpeter equation on massively parallel architectures

The last ten years have witnessed fast spreading of massively parallel c...

0 Xiao Zhang, et al. ∙

∙ 01/13/2020

Rational spectral filters with optimal convergence rate

In recent years, contour-based eigensolvers have emerged as a standard a...

0 Konrad Kollnig, et al. ∙

∙ 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 ...

0 Sanja Singer, et al. ∙

∙ 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...

0 Jan Winkelmann, et al. ∙

∙ 12/19/2017

Accelerating the computation of FLAPW methods on heterogeneous architectures

Legacy codes in computational science and engineering have been very suc...

0 Davor Davidović, et al. ∙

∙ 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-...

0 Jan Winkelmann, et al. ∙

∙ 10/31/2016

Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods

In this paper we focus on the integration of high-performance numerical ...

0 Diego Fabregat-Traver, et al. ∙

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