Molecular Modeling of Hydrogen Bonding Fluids. - Thorsten Schnabel; Jadran Vrabec; Hans Hasse (High Performance Computing in Science and Engineering, 2006)

Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures. - Bernhard Eckl; Martin Horsch; Jadran Vrabec; Hans Hasse (High Performance Computing in Science and Engineering, 2008)

Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols. - Thorsten Merker; Gabriela Guevara-Carrion; Jadran Vrabec; Hans Hasse (High Performance Computing in Science and Engineering, 2008)

Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence. - Jadran Vrabec; Gabriela Guevara-Carrion; Thorsten Merker; Hans Hasse (High Performance Computing in Science and Engineering, 2010)

Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids. - Stefan Eckelsbach; Martin Bernreuther; Cemal Engin; Gabriela Guevara-Carrion; Yow-Lin Huang; Thorsten Merker; Hans Hasse; Jadran Vrabec (High Performance Computing in Science and Engineering, 2011)

Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models. - Jonathan Walter; Stephan Deublein; Steffen Reiser; Martin Horsch; Jadran Vrabec; Hans Hasse (High Performance Computing in Science and Engineering, 2011)

Interactive Exploration of Polymer-Solvent Interactions. - Bertram Thomaß; Jonathan Walter; Michael Krone; Hans Hasse; Thomas Ertl (VMV, 2011)

ms2: A molecular simulation tool for thermodynamic properties. - Stephan Deublein; Bernhard Eckl; Jürgen Stoll; Sergey V. Lishchuk; Gabriela Guevara-Carrion; Colin W. Glass; Thorsten Merker; Martin Bernreuther; Hans Hasse; Jadran Vrabec (Comput. Phys. Commun., 2011)

Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces. - Martin Horsch; Stefan Becker; Juan Manuel Castillo; Stephan Deublein; Agnes Fröscher; Steffen Reiser; Stephan Werth; Jadran Vrabec; Hans Hasse (High Performance Computing in Science and Engineering, 2013)

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC. - Wolfgang Eckhardt; Alexander Heinecke; Reinhold Bader; Matthias Brehm; Nicolay Hammer; Herbert Huber; Hans-Georg Kleinhenz; Jadran Vrabec; Hans Hasse; Martin Horsch; Martin Bernreuther; Colin W. Glass; et al. (ISC, 2013)

Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces - Martin Horsch; Stefan Becker; Juan Manuel Castillo; Stephan Deublein; Agnes Fröscher; Steffen Reiser; Stephan Werth; Jadran Vrabec; Hans Hasse (CoRR, 2013)

Computational Molecular Engineering as an Emerging Technology in Process Engineering. - Martin Horsch; Christoph Niethammer; Jadran Vrabec; Hans Hasse (it Inf. Technol., 2013)

Multi-criteria optimization in chemical process design and decision support by navigation on Pareto sets. - Michael Bortz; Jakob Burger; Norbert Asprion; Sergej Blagov; Roger Böttcher; U. Nowak; A. Scheithauer; Richard Welke; Karl-Heinz Küfer; Hans Hasse (Comput. Chem. Eng., 2014)

ls1 mardyn: The massively parallel molecular dynamics code for large systems. - Christoph Niethammer; Stefan Becker; Martin Bernreuther; Martin Buchholz; Wolfgang Eckhardt; Alexander Heinecke; Stephan Werth; Hans-Joachim Bungartz; Colin W. Glass; Hans Hasse; Jadran Vrabec; Martin Horsch (CoRR, 2014)

Molecular modelling and simulation of the surface tension of real quadrupolar fluids. - Stephan Werth; Katrin Stöbener; Peter Klein 001; Karl-Heinz Küfer; Martin Horsch; Hans Hasse (CoRR, 2014)

ms2: A molecular simulation tool for thermodynamic properties, new version release. - Colin W. Glass; Steffen Reiser; Gábor Rutkai; Stephan Deublein; Andreas Köster; Gabriela Guevara-Carrion; Amer Wafai; Martin Horsch; Martin Bernreuther; Thorsten Windmann; Hans Hasse; Jadran Vrabec (Comput. Phys. Commun., 2014)

Round Robin Study of Molecular Simulation Programs. - Michael Schappals; Hans Hasse (HiPC Workshops, 2016)

Molecular Dynamics Simulation of Nanoscopic Couette Flow and Lubricated Nanoindentation. - Simon Stephan; Martin Lautenschlager; Martin Horsch; Hans Hasse (HiPC Workshops, 2016)

Molecular simulation of the surface tension of real fluids. - Stephan Werth; Martin Horsch; Hans Hasse (CoRR, 2016)

ms2: A molecular simulation tool for thermodynamic properties, release 3.0. - Gábor Rutkai; Andreas Köster; Gabriela Guevara-Carrion; Tatjana Janzen; Michael Schappals; Colin W. Glass; Martin Bernreuther; Amer Wafai; Simon Stephan; Maximilian Kohns; Steffen Reiser; Stephan Deublein; et al. (Comput. Phys. Commun., 2017)

TweTriS: Twenty trillion-atom simulation. - Nikola Tchipev; Steffen Seckler; Matthias Heinen; Jadran Vrabec; Fabio Alexander Gratl; Martin Horsch; Martin Bernreuther; Colin W. Glass; Christoph Niethammer; Nicolay Hammer; Bernd Krischok; Michael Resch 001; et al. (Int. J. High Perform. Comput. Appl., 2019)

Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment. - Simon Stephan; Monika Thol; Jadran Vrabec; Hans Hasse (J. Chem. Inf. Model., 2019)

Molecular Simulation Study on the Influence of the Scratching Velocity on Nanoscopic Contact Processes. - Sebastian Schmitt; Simon Stephan; Benjamin Kirsch; Jan C. Aurich; Eberhard Kerscher; Herbert M. Urbassek; Hans Hasse (iPMVM, 2020)

Attribute-based Explanations of Non-Linear Embeddings of High-Dimensional Data. - Jan-Tobias Sohns; Michaela Schmitt; Fabian Jirasek; Hans Hasse; Heike Leitte (CoRR, 2021)

ms2: A molecular simulation tool for thermodynamic properties, release 4.0. - Robin Fingerhut; Gabriela Guevara-Carrion; Isabel Nitzke; Denis Saric; Joshua Marx; Kai Langenbach; Sergei Prokopev; David Celný; Martin Bernreuther; Simon Stephan; Maximilian Kohns; Hans Hasse; et al. (Comput. Phys. Commun., 2021)

Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification. - Thomas Specht; Kerstin Münnemann; Hans Hasse; Fabian Jirasek (J. Chem. Inf. Model., 2021)

Attribute-based Explanation of Non-Linear Embeddings of High-Dimensional Data. - Jan-Tobias Sohns; Michaela Schmitt; Fabian Jirasek; Hans Hasse; Heike Leitte (IEEE Trans. Vis. Comput. Graph., 2022)

Deep Anomaly Detection on Tennessee Eastman Process Data. - Fabian Hartung; Billy Joe Franks; Tobias Michels; Dennis Wagner; Philipp Liznerski; Steffen Reithermann; Sophie Fellenz; Fabian Jirasek; Maja Rudolph; Daniel Neider; Heike Leitte; Chen Song; et al. (CoRR, 2023)

Extension of the MolMod Database to Transferable Force Fields. - Sebastian Schmitt; Gajanan Kanagalingam; Florian Fleckenstein; Daniel Froescher; Hans Hasse; Simon Stephan (J. Chem. Inf. Model., 2023)

Visual Scalar Matrix Evaluation: An Application to Thermodynamics. - Jan-Tobias Sohns; Dominik Gond; Fabian Jirasek; Hans Hasse; Heike Leitte (VisGap@EuroVis, 2024)

HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction. - Thomas Specht; Mayank Nagda; Sophie Fellenz; Stephan Mandt; Hans Hasse; Fabian Jirasek (CoRR, 2024)

Advancing Thermodynamic Group-Contribution Methods by Machine Learning: UNIFAC 2.0. - Nicolas Hayer; Thorsten Wendel; Stephan Mandt; Hans Hasse; Fabian Jirasek (CoRR, 2024)

Hierarchical Matrix Completion for the Prediction of Properties of Binary Mixtures. - Dominik Gond; Jan-Tobias Sohns; Heike Leitte; Hans Hasse; Fabian Jirasek (CoRR, 2024)

Hierarchical Multicriteria Optimization of Molecular Models of Water. - Aditya Kulkarni; Michael Bortz; Karl-Heinz Küfer; Maximilian Kohns; Hans Hasse (J. Chem. Inf. Model., 2024)

KnowTD─An Actionable Knowledge Representation System for Thermodynamics. - Luisa Vollmer; Sophie Fellenz; Fabian Jirasek; Heike Leitte; Hans Hasse (J. Chem. Inf. Model., 2024)

ms2: A molecular simulation tool for thermodynamic properties, release 5.0. - Isabel Nitzke; Gabriela Guevara-Carrion; Denis Saric; Simon Homes; Simon Stephan; Robin Fingerhut; Martin Bernreuther; Hans Hasse; Jadran Vrabec (Comput. Phys. Commun., 2025)

GRAPPA - A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures. - Marco Hoffmann; Hans Hasse; Fabian Jirasek (CoRR, 2025)

Using Large Language Models for Solving Thermodynamic Problems. - Rebecca Loubet; Pascal Zittlau; Luisa Vollmer; Marco Hoffmann; Sophie Fellenz; Fabian Jirasek; Heike Leitte; Hans Hasse (CoRR, 2025)

MLPROP - an open interactive web interface for thermophysical property prediction with machine learning. - Marco Hoffmann; Thomas Specht; Nicolas Hayer; Hans Hasse; Fabian Jirasek (CoRR, 2025)

Superstudent intelligence in thermodynamics. - Rebecca Loubet; Pascal Zittlau; Marco Hoffmann; Luisa Vollmer; Sophie Fellenz; Heike Leitte; Fabian Jirasek; Johannes Lenhard; Hans Hasse (CoRR, 2025)