Jan G. Rittig - Publications, H-index & Citations

Jan G. Rittig

RWTH Aachen University

14H指数

45论文数

641被引数

收录论文 14

发表时间

DeepEOSNet: Capturing the dependency on thermodynamic state in property prediction tasks DeepEOSNet：捕获热力学状态在属性预测任务中的依赖性

COMPUTERS & CHEMICAL ENGINEERING

IF3.9

2026-09-29

PREAI

Pavsek, Jan; Mitsos, Alexander; Dahmen, Manuel; Tan, Tai Xuan; Rittig, Jan G.

Federated learning from molecules to processes: A perspective 从分子到过程：联邦学习的视角

CHEMICAL ENGINEERING RESEARCH & DESIGN

IF3.9

2026-07-10

OAAI

Jan G. Rittig; Clemens Kortmann

Predicting the equivalent alkane carbon number of oils using graph neural networks and quantum mechanical descriptors 使用图神经网络和量子力学描述符预测油的等效烷烃碳数

Computers & Chemical Engineering

IF3.9

2025-09-30

OAAI

Christoforos Brozos; Sandip Bhattacharya; Jan G. Rittig; Elie Akanny; Philipp Eiden; Alexander Mitsos

Exploring data augmentation: Multi-task methods for molecular property prediction 探索数据增强：分子性质预测的多任务方法

Computers & Chemical Engineering

IF3.9

2025-07-02

OAAI

Muhammad bin Javaid; Timo Gervens; Alexander Mitsos; Martin Grohe; Jan G. Rittig

Predicting the temperature-dependent CMC of surfactant mixtures with graph neural networks

COMPUTERS & CHEMICAL ENGINEERING

IF3.9

2025-03-01

OAAI

Brozos, Christoforos; Rittig, Jan G.; Akanny, Elie; Bhattacharya, Sandip; Kohlmann, Christina; Mitsos, Alexander

GraphXForm: graph transformer for computer-aided molecular design GraphXForm: 用于计算机辅助分子设计的图变换器

DIGITAL DISCOVERY

IF5.6

2025-01-01

OAAI

Pirnay, Jonathan; Rittig, Jan G.; Wolf, Alexander B.; Grohe, Martin; Burger, Jakob; Mitsos, Alexander; Grimm, Dominik G.

ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

CHEMICAL ENGINEERING JOURNAL

IF13.2

2024-07-01

OAAI

Felton, Kobi C.; Rasspe-Lange, Lukas; Rittig, Jan G.; Leonhard, Kai; Mitsos, Alexander; Meyer-Kirschner, Julian; Knoesche, Carsten; Lapkin, Alexei A.

Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-06-26

OAAI

Brozos, Christoforos; Rittig, Jan G.; Bhattacharya, Sandip; Akanny, Elie; Kohlmann, Christina; Mitsos, Alexander

Thermodynamics-consistent graph neural networks

CHEMICAL SCIENCE

IF7.4

2024-01-01

OAAI

Rittig, Jan G.; Mitsos, Alexander

Physical pooling functions in graph neural networks for molecular property prediction 用于分子特性预测的图神经网络中的物理池化函数

COMPUTERS & CHEMICAL ENGINEERING

IF3.9

2023-04-01

OAAI

Schweidtmann, Artur M.; Rittig, Jan G.; Weber, Jana M.; Grohe, Martin; Dahmen, Manuel; Leonhard, Kai; Mitsos, Alexander

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids 用图神经网络预测离子液体中溶质的温度相关活度系数

COMPUTERS & CHEMICAL ENGINEERING

IF3.9

2023-03-01

OAAI

Rittig, Jan G.; Hicham, Karim Ben; Schweidtmann, Artur M.; Dahmen, Manuel; Mitsos, Alexander

Gibbs-Duhem-informed neural networks for binary activity coefficient prediction

DIGITAL DISCOVERY

IF5.6

2023-01-01

OAAI

Rittig, Jan G.; Felton, Kobi C.; Lapkin, Alexei A.; Mitsos, Alexander

Graph machine learning for design of high-octane fuels

AICHE JOURNAL

IF4

2022-12-22

OAAI

Rittig, Jan G. G.; Ritzert, Martin; Schweidtmann, Artur M. M.; Winkler, Stefanie; Weber, Jana M. M.; Morsch, Philipp; Heufer, Karl Alexander; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel

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

CHEMICAL ENGINEERING SCIENCE

IF4.3

2021-06-01

PREAI

Koenig, Andrea; Siska, Maximilian; Schweidtmann, Artur M.; Rittig, Jan G.; Viell, Jorn; Mitsos, Alexander; Dahmen, Manuel

研究方向