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Journal Article 4 Conference Presentation 3 Preprint 3 Poster 2 Talk (non-conference) 1

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Journal Article

Physical pooling functions in graph neural networks for molecular property prediction

Schweidtmann, Artur M.
2023

Computers & chemical engineering, 172 (2023) S. 108202 -

“...Grohe, Martin...”

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Journal Article

Graph machine learning for design of high‐octane fuels

Rittig, Jan G.
2023

AIChE journal, 69 (2023) 4, S. e17971

“...Grohe, Martin...”

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Journal Article

Classification of properties and their relation to chemical bonding: Essential steps toward the inverse design of functional materials

Schön, Carl-Friedrich
2022

Science advances, 8 (2022) 47, S. 0828

“...Grohe, Martin...”

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Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

Schweidtmann, Artur M.
2022

“...Grohe, Martin...”

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Graph Machine Learning for Design of High-Octane Fuels

Rittig, Jan G.
2022

“...Grohe, Martin...”

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Talk (non-conference)

Ion-Residue Interaction of an Intrinsically Disordered Protein Surface: Gather- ing Inputs for Deep Learning

de Bruyn, Emile
2021

“...Grohe, Martin...”

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Modelling Ion-Residue Interaction in Implicit Solvation for Intrinsically Disordered Proteins

de Bruyn, Emile
2021

“...Grohe, Martin...”

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Journal Article

Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur M.
2020

Energy & fuels, 34 (2020) 9, S. 11395 - 11407

“...Grohe, Martin...”

Get full text Published on 2020-08-12. Available in OpenAccess from 2021-08-12.

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Conference Presentation

Physical Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

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Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

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Conference Presentation

Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

“...Grohe, Martin...”

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Conference Presentation

Deep End-To-End Learning on Molecular Graphs for Physico- Chemical Property Prediction using Graph Neural Networks

Rittig, Jan
2020

“...Grohe, Martin...”

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Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

“...Grohe, Martin...”

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Publications database 13 Open Access 7

Journal Article 4 Conference Presentation 3 Preprint 3 Poster 2 Talk (non-conference) 1

Grohe, Martin 13 Dahmen, Manuel 10 Mitsos, Alexander 10 König, Andrea 6 Rittig, Jan G. 5 Schweidtmann, Artur 5 more ... Schweidtmann, Artur M. 5 Rittig, Jan 4 Weber, Jana M. 3 Leonhard, Kai 2 Morsch, Philipp 2 Ritzert, Martin 2 Rossetti, Giulia 2 Winkler, Stefanie 2 Zimmermann, Olav 2 de Bruyn, Emile 2 Ackermann, Philipp 1 Heufer, K. Alexander 1 Heufer, Karl Alexander 1 Kobbelt, Leif 1 Mattes, Christian 1 Rittig, Jan Gerald 1 Schön, Carl-Friedrich 1 Weber, Jana 1 Wuttig, Matthias 1 Yadav, Aakash 1 van Bergerem, Steffen 1 see all ... less ...

Assessment of Energy Systems – Addressing Issues of Energy Efficiency and Energy Security 5 Digitalization and Systems Technology for Flexibility Solutions 5 Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) 2 Cross-Domain Algorithms, Tools, Methods Labs (ATMLs) and Research Groups 1 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 1 Memristive Materials and Devices 1 more ... NeuroSys: Skalierbare Photonische Neuromorphe Schaltkreise (Projekt B) - A 1 see all ... less ...

Modellierung von Energiesystemen; IEK-10 10 Jülich Supercomputing Center; JSC 2 Computational Biomedicine; IAS-5 1 Computational Biomedicine; INM-9 1 JARA Institut Green IT; PGI-10 1

2020 5 2021 3 2022 3 2023 2

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