Jan G. Rittig - RankMe

23 papers Journal 22

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Clapeyron Neural Networks for Single-Species Vapor-Liquid Equilibria. CoRR Jan Pavsek, Alexander Mitsos, Elvis J. Sim, Jan G. Rittig
2026	J	`jnl`	Differentiable Thermodynamic Phase-Equilibria for Machine Learning. CoRR Karim Ben Hicham, Moreno Ascani, Jan G. Rittig, Alexander Mitsos
2026	J	`jnl`	Predicting the equivalent alkane carbon number of oils using graph neural networks and quantum mechanical descriptors. Comput. Chem. Eng. Christoforos Brozos, Sandip Bhattacharya, Jan G. Rittig, Elie Akanny, Philipp Eiden, Alexander Mitsos
2025	J	`jnl`	Accelerating Scientific Discovery with Autonomous Goal-evolving Agents. CoRR Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Zhangde Song, Bo Zhou, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P. Gomes, Huan Sun, Chenru Duan, Philippe Schwaller, Wengong Jin
2025	J	`jnl`	DeepEOSNet: Capturing the dependency on thermodynamic state in property prediction tasks. CoRR Jan Pavsek, Alexander Mitsos, Manuel Dahmen, Tai Xuan Tan, Jan G. Rittig
2025	J	`jnl`	Exploring data augmentation: Multi-task methods for molecular property prediction. Comput. Chem. Eng. Muhammad bin Javaid, Timo Gervens, Alexander Mitsos, Martin Grohe, Jan G. Rittig
2025	J	`jnl`	Federated Learning from Molecules to Processes: A Perspective. CoRR Jan G. Rittig, Clemens Kortmann
2025	—	`—`	Graph machine learning for molecular property prediction and design. Jan G. Rittig
2025	J	`jnl`	Molecular Machine Learning in Chemical Process Design. CoRR Jan G. Rittig, Manuel Dahmen, Martin Grohe, Philippe Schwaller, Alexander Mitsos
2025	J	`jnl`	Multi-fidelity graph neural networks for predicting toluene/water partition coefficients. J. Cheminformatics Thomas Nevolianis, Jan G. Rittig, Alexander Mitsos, Kai Leonhard
2025	J	`jnl`	Predicting the temperature-dependent CMC of surfactant mixtures with graph neural networks. Comput. Chem. Eng. Christoforos Brozos, Jan G. Rittig, Elie Akanny, Sandip Bhattacharya, Christina Kohlmann, Alexander Mitsos
2024	J	`jnl`	Graph Neural Networks for Surfactant Multi-Property Prediction. CoRR Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya, Elie Akanny, Christina Kohlmann, Alexander Mitsos
2024	J	`jnl`	GraphXForm: Graph transformer for computer-aided molecular design with application to extraction. CoRR Jonathan Pirnay, Jan G. Rittig, Alexander B. Wolf, Martin Grohe, Jakob Burger, Alexander Mitsos, Dominik G. Grimm
2024	J	`jnl`	Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks. CoRR Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya, Elie Akanny, Christina Kohlmann, Alexander Mitsos
2024	J	`jnl`	Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks. CoRR Christoforos Brozos, Jan G. Rittig, Elie Akanny, Sandip Bhattacharya, Christina Kohlmann, Alexander Mitsos
2024	J	`jnl`	Thermodynamics-Consistent Graph Neural Networks. CoRR Jan G. Rittig, Alexander Mitsos
2023	J	`jnl`	Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction. CoRR Jan G. Rittig, Kobi C. Felton, Alexei A. Lapkin, Alexander Mitsos
2023	J	`jnl`	Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids. Comput. Chem. Eng. Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
2023	J	`jnl`	Physical pooling functions in graph neural networks for molecular property prediction. Comput. Chem. Eng. Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai Leonhard, Alexander Mitsos
2022	J	`jnl`	Graph Machine Learning for Design of High-Octane Fuels. CoRR Jan G. Rittig, Martin Ritzert, Artur M. Schweidtmann, Stefanie Winkler, Jana M. Weber, Philipp Morsch, K. Alexander Heufer, Martin Grohe, Alexander Mitsos, Manuel Dahmen
2022	J	`jnl`	Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids. CoRR Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
2022	J	`jnl`	Graph neural networks for the prediction of molecular structure-property relationships. CoRR Jan G. Rittig, Qinghe Gao, Manuel Dahmen, Alexander Mitsos, Artur M. Schweidtmann
2022	J	`jnl`	Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction. CoRR Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai Leonhard, Alexander Mitsos