Search Results for author: Peter Zaspel

Found 5 papers, 3 papers with code

Multi-Fidelity Machine Learning for Excited State Energies of Molecules

no code implementations18 May 2023 Vivin Vinod, Sayan Maity, Peter Zaspel, Ulrich Kleinekathöfer

It can be shown that the multi-fidelity machine learning model can achieve the same accuracy as a machine learning model built only on high cost training data while having a much lower computational effort to generate the data.

Towards data-driven filters in Paraview

no code implementations11 Aug 2021 Drishti Maharjan, Peter Zaspel

A series of simplistic use cases for segmentation and classification on image and fluid data is presented to showcase the technical applicability of such data-driven transformations in Paraview for future complex analysis tasks.

Boosting quantum machine learning models with multi-level combination technique: Pople diagrams revisited

1 code implementation8 Aug 2018 Peter Zaspel, Bing Huang, Helmut Harbrecht, O. Anatole von Lilienfeld

Inspired by Pople diagrams popular in quantum chemistry, we introduce a hierarchical scheme, based on the multi-level combination (C) technique, to combine various levels of approximations made when calculating molecular energies within quantum chemistry.

Chemical Physics

A scalable H-matrix approach for the solution of boundary integral equations on multi-GPU clusters

1 code implementation20 Jun 2018 Helmut Harbrecht, Peter Zaspel

In this work, we consider the solution of boundary integral equations by means of a scalable hierarchical matrix approach on clusters equipped with graphics hardware, i. e. graphics processing units (GPUs).

Mathematical Software Distributed, Parallel, and Cluster Computing Numerical Analysis Numerical Analysis

Algorithmic patterns for $\mathcal{H}$-matrices on many-core processors

1 code implementation31 Aug 2017 Peter Zaspel

In this work, we consider the reformulation of hierarchical ($\mathcal{H}$) matrix algorithms for many-core processors with a model implementation on graphics processing units (GPUs).

Distributed, Parallel, and Cluster Computing Mathematical Software Numerical Analysis Numerical Analysis 65Y05, 68T05, 65Y10, 68W10, 65Y20, 65F30, 65F10, 15A06, 015-04, 65N38

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