ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

• Design of novel high-performance fuels with artificial intelligence: Case study for spark-ignition engine applications

  2025 Applications in Energy and Combustion Science article Chemical Engineering Advanced Combustion Engine Technologies Open access

  5

  citations
• Integrated thermo-economic organic Rankine cycle and working fluid design – On the accuracy of molecular-based computer-aided methodologies

  2025 Computers & Chemical Engineering article Engineering Thermodynamic and Exergetic Analyses of Power and Cooling Systems Open access

  4

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

  2024 Chemical Engineering Journal article Engineering Phase Equilibria and Thermodynamics Open access

  33

  citations
• The transition to sustainable combustion: Hydrogen- and carbon-based future fuels and methods for dealing with their challenges

  2024 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access

  108

  citations
• Graph Neural Networks for the Prediction of Molecular Structure–Property Relationships

  2023 Royal Society of Chemistry eBooks book-chapter Computer Science Computational Drug Discovery Methods

  29

  citations
• Physical pooling functions in graph neural networks for molecular property prediction

  2023 Computers & Chemical Engineering article Computer Science Computational Drug Discovery Methods Open access

  59

  citations
• Prediction of Sooting Index of Fuel Compounds for Spark-Ignition Engine Applications Based on a Machine Learning Approach

  2023 Journal of Thermal Science article Chemical Engineering Advanced Combustion Engine Technologies

  8

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

  2023 Energy & Fuels article Chemical Engineering Advanced Combustion Engine Technologies Open access

  25

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

  2022 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

  2

  citations
• Numerical modeling of single droplet flash boiling behavior of e-fuels considering internal and external vaporization

  2021 Fuel article Chemical Engineering Advanced Combustion Engine Technologies

  29

  citations
• Development of a Modified Joback–Reid Group Contribution Method to Predict the Sooting Tendency of Oxygenated Fuels

  2021 Energy & Fuels article Chemical Engineering Advanced Combustion Engine Technologies

  7

  citations
• Exploring the fuel structure dependence of laminar burning velocity: A machine learning based group contribution approach

  2021 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

  62

  citations
• Tailor-made solvents by integrated design of molecules and CO2 absorption processes

  2021 Computer-aided chemical engineering/Computer aided chemical engineering book-chapter Engineering Carbon Dioxide Capture Technologies

  2

  citations
• A property database of fuel compounds with emphasis on spark-ignition engine applications

  2020 Applications in Energy and Combustion Science article Chemical Engineering Advanced Combustion Engine Technologies Open access

  48

  citations
• Experimental and theoretical investigation of the combustion characteristics of di-tert-butyl peroxide

  2020 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies

  9

  citations
• Graph Neural Networks for Prediction of Fuel Ignition Quality

  2020 Energy & Fuels article Materials Science Machine Learning in Materials Science

  142

  citations
• Towards optimal mixtures of working fluids: Integrated design of processes and mixtures for Organic Rankine Cycles

  2020 Renewable and Sustainable Energy Reviews article Engineering Thermodynamic and Exergetic Analyses of Power and Cooling Systems Open access

  49

  citations
• Using machine learning with target-specific feature sets for structure-property relationship modeling of octane numbers and octane sensitivity

  2020 Fuel article Chemical Engineering Advanced Combustion Engine Technologies

  60

  citations
• Property Data Estimation for Hemiformals, Methylene Glycols and Polyoxymethylene Dimethyl Ethers and Process Optimization in Formaldehyde Synthesis

  2020 Energies article Engineering Phase Equilibria and Thermodynamics Open access

  9

  citations
• Thermodynamic and ecological preselection of synthetic fuel intermediates from biogas at farm sites

  2020 Energy Sustainability and Society article Chemical Engineering Catalysts for Methane Reforming Open access

  17

  citations

20 results