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1

Journal Article

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids

Rittig, Jan G.
2023

Computers & chemical engineering, 171 (2023) S. 108153 -

“...Schweidtmann, Artur M....”
OpenAccess

2

Journal Article

Physical pooling functions in graph neural networks for molecular property prediction

Schweidtmann, Artur M.
2023

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

“...Schweidtmann, Artur M....”
OpenAccess

3

Journal Article

Graph machine learning for design of high‐octane fuels

Rittig, Jan G.
2023

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

“...Schweidtmann, Artur M....”
OpenAccess Restricted

4

Journal Article

Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning

Fleitmann, Lorenz
2023

Energy & fuels, 37 (2023) 3, S. 2213–2229

“...Schweidtmann, Artur M....”
OpenAccess

5

Journal Article

Geometry optimization of a continuous millireactor via CFD and Bayesian optimization

Begall, Moritz J.
2023

Computers & chemical engineering, 171 (2023) S. 108140 -

“...Schweidtmann, Artur M....”
OpenAccess

6

Journal Article

Obey validity limits of data-driven models through topological data analysis and one-class classification

Schweidtmann, Artur M.
2022

Optimization and engineering, 23 (2022) S. 855–876

“...Schweidtmann, Artur M....”
OpenAccess

7

Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

Schweidtmann, Artur M.
2022

“...Schweidtmann, Artur M....”
OpenAccess

8

Graph Machine Learning for Design of High-Octane Fuels

Rittig, Jan G.
2022

“...Schweidtmann, Artur M....”
OpenAccess

9

Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids

Rittig, Jan G.
2022

“...Schweidtmann, Artur M....”
OpenAccess

10

Graph neural networks for the prediction of molecular structure-property relationships

Rittig, Jan G.
2022

“...Schweidtmann, Artur M....”
OpenAccess

11

Fuel design by combined machine learning and predictive thermodynamics

Fleitmann, Lorenz
2021

“...Schweidtmann, Artur...”

12

Journal Article

Deterministic global optimization with Gaussian processes embedded

Schweidtmann, Artur M.
2021

Mathematical programming computation, 13 (2021) 3, S. 553 - 581

“...Schweidtmann, Artur M....”
OpenAccess

13

Journal Article

Machine Learning in Chemical Engineering: A Perspective

Schweidtmann, Artur M.
2021

Chemie - Ingenieur - Technik, 93 (2021) 12, S. 2029 - 2039

“...Schweidtmann, Artur M....”
OpenAccess

14

Journal Article

Designing production-optimal alternative fuels for conventional, flexible-fuel, and ultra-high efficiency engines

König, Andrea
2021

Chemical engineering science, 237 (2021) S. 116562 -

“...Schweidtmann, Artur M....”
OpenAccess

15

Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

“...Schweidtmann, Artur...”

16

Conference Presentation

Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

“...Schweidtmann, Artur...”

17

Journal Article

The Potential of Hybrid Mechanistic/Data‐Driven Approaches for Reduced Dynamic Modeling: Application to Distillation Columns

Schäfer, Pascal
2020

Chemie - Ingenieur - Technik, 92 (2020) 12, S. 1910 - 1920

“...Schweidtmann, Artur M....”
OpenAccess OpenAccess

18

Global Optimization of Gaussian Processes

Schweidtmann, Artur M.
2020

“...Schweidtmann, Artur M....”
OpenAccess OpenAccess

19

Graph Neural Networks for Prediction of Fuel Ignition Quality

Schweidtmann, Artur
2020

“...Schweidtmann, Artur...”
OpenAccess

20

Journal Article

Wavelet-based grid-adaptation for nonlinear scheduling subject to time-variable electricity prices

Schäfer, Pascal
2020

Computers & chemical engineering, 132 (2020) S. 106598 -

“...Schweidtmann, Artur M....”
Published on 2019-10-18. Available in OpenAccess from 2021-10-18. Published on 2019-10-18. Available in OpenAccess from 2021-10-18.

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