3 papers
cs.CE2025
MLPROP -- an open interactive web interface for thermophysical property prediction with machine learning
Marco Hoffmann, Thomas Specht, Nicolas Hayer +2
Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties with unprecedented scope and accuracy. However, technical barriers like c…
cs.CE2025
Using Large Language Models for Solving Thermodynamic Problems
Rebecca Loubet, Pascal Zittlau, Luisa Vollmer +5
Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving c…
cs.LG2025
GRAPPA -- A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures
Marco Hoffmann, Hans Hasse, Fabian Jirasek
Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source p…