Peter Zaspel

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Bergische Universität Wuppertal

Germany

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Recent Grants

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Multi-fidelity, active learning strategies for exciton transfer among adsorbed molecules

Open Date: 2022-01-01

Close Date:

Grant: Close

Excitation Energy Transfer in a Photosynthetic System with more than 100 Million Atoms

Open Date: 2021-01-01

Close Date:

Articles (10)

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2025

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2025

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2025

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2025

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2025

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2024

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2024

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2023

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2022

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2021

Collaborators (1)

Ulrich Kleinekathöfer

Constructor University

GERMANY

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Peter Zaspel

Research Interests

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Recent Grants

Articles (10)

Evaluation of uncertainty estimations for Gaussian process regression based machine learning interatomic potentials

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning

Predicting Molecular Energies of Small Organic Molecules With Multi‐Fidelity Methods

Benchmarking data efficiency in Δ-ML and multifidelity models for quantum chemistry

Investigating Data Hierarchies in Multifidelity Machine Learning for Excitation Energies

Assessing non-nested configurations of multifidelity machine learning for quantum-chemical properties

Optimized multifidelity machine learning for quantum chemistry

Multifidelity Machine Learning for Molecular Excitation Energies

TOWARD DATA-DRIVEN FILTERS IN PARAVIEW

Cholesky-Based Experimental Design for Gaussian Process and Kernel-Based Emulation and Calibration

Collaborators (1)

Ulrich Kleinekathöfer

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