Hans Hasse

50 papers C 1Journal 36Unranked 6
YearRankTypeTitle / Venue / Authors
2026 J jnl
Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in Liquids.
CoRR
Jens Wagner, Zeno Romero, Kerstin Münnemann, Sebastian Schmitt, Thomas Specht, Hans Hasse, Fabian Jirasek
2026 J jnl
Prediction of Diffusion Coefficients in Mixtures with Tensor Completion.
CoRR
Zeno Romero, Kerstin Münnemann, Hans Hasse, Fabian Jirasek
2026 J jnl
Using large language models for solving textbook-style thermodynamic problems.
Comput. Chem. Eng.
Rébecca Loubet, Pascal Zittlau, Luisa Vollmer, Marco Hoffmann, Sophie Fellenz, Fabian Jirasek, Heike Leitte, Hans Hasse
2025 J jnl
A machine-learned expression for the excess Gibbs energy.
CoRR
Marco Hoffmann, Thomas Specht, Quirin Göttl, Jakob Burger, Stephan Mandt, Hans Hasse, Fabian Jirasek
2025 J jnl
Batch Distillation Data for Developing Machine Learning Anomaly Detection Methods.
CoRR
Justus Arweiler, Indra Jungjohann, Aparna Muraleedharan, Heike Leitte, Jakob Burger, Kerstin Münnemann, Fabian Jirasek, Hans Hasse
2025 J jnl
DiffStyleTS: Diffusion Model for Style Transfer in Time Series.
CoRR
Mayank Nagda, Phil Ostheimer, Justus Arweiler, Indra Jungjohann, Jennifer Werner, Dennis Wagner, Aparna Muraleedharan, Pouya Jafari, Jochen Schmid, Fabian Jirasek, Jakob Burger, Michael Bortz, Hans Hasse, Stephan Mandt, Marius Kloft, Sophie Fellenz
2025 — conf
Enabling Transparent Problem Solving in Thermodynamics with Ontologies and Knowledge Graphs.
ESWC-JP
Luisa Vollmer, Rébecca Loubet, Fabian Jirasek, Sophie Fellenz, Hans Hasse, Heike Leitte
2025 J jnl
Formally Exploring Time-Series Anomaly Detection Evaluation Metrics.
CoRR
Dennis Wagner, Arjun Nair, Billy Joe Franks, Justus Arweiler, Aparna Muraleedharan, Indra Jungjohann, Fabian Hartung, Mayank C. Ahuja, Andriy Balinskyy, Saurabh Varshneya, Nabeel Hussain Syed, Mayank Nagda, Philipp Liznerski, Steffen Reithermann, Maja Rudolph, Sebastian J. Vollmer, Ralf Schulz, Torsten Katz, Stephan Mandt, Michael Bortz, Heike Leitte, Daniel Neider, Jakob Burger, Fabian Jirasek, Hans Hasse, Sophie Fellenz, Marius Kloft
2025 J jnl
GRAPPA - A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures.
CoRR
Marco Hoffmann, Hans Hasse, Fabian Jirasek
2025 J jnl
MLPROP - an open interactive web interface for thermophysical property prediction with machine learning.
CoRR
Marco Hoffmann, Thomas Specht, Nicolas Hayer, Hans Hasse, Fabian Jirasek
2025 J jnl
Superstudent intelligence in thermodynamics.
CoRR
Rébecca Loubet, Pascal Zittlau, Marco Hoffmann, Luisa Vollmer, Sophie Fellenz, Heike Leitte, Fabian Jirasek, Johannes Lenhard, Hans Hasse
2025 J jnl
Using Large Language Models for Solving Thermodynamic Problems.
CoRR
Rébecca Loubet, Pascal Zittlau, Luisa Vollmer, Marco Hoffmann, Sophie Fellenz, Fabian Jirasek, Heike Leitte, Hans Hasse
2025 J jnl
ms2: A molecular simulation tool for thermodynamic properties, release 5.0.
Comput. Phys. Commun.
Isabel Nitzke, Gabriela Guevara-Carrion, Denis Saric, Simon Homes, Simon Stephan, Robin Fingerhut, Martin Bernreuther, Hans Hasse, Jadran Vrabec
2024 J jnl
Advancing Thermodynamic Group-Contribution Methods by Machine Learning: UNIFAC 2.0.
CoRR
Nicolas Hayer, Thorsten Wendel, Stephan Mandt, Hans Hasse, Fabian Jirasek
2024 J jnl
HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction.
CoRR
Thomas Specht, Mayank Nagda, Sophie Fellenz, Stephan Mandt, Hans Hasse, Fabian Jirasek
2024 J jnl
Hierarchical Matrix Completion for the Prediction of Properties of Binary Mixtures.
CoRR
Dominik Gond, Jan-Tobias Sohns, Heike Leitte, Hans Hasse, Fabian Jirasek
2024 J jnl
Hierarchical Multicriteria Optimization of Molecular Models of Water.
J. Chem. Inf. Model.
Aditya Kulkarni, Michael Bortz, Karl-Heinz Küfer, Maximilian Kohns, Hans Hasse
2024 J jnl
KnowTD-An Actionable Knowledge Representation System for Thermodynamics.
CoRR
Luisa Vollmer, Sophie Fellenz, Fabian Jirasek, Heike Leitte, Hans Hasse
2024 J jnl
KnowTD─An Actionable Knowledge Representation System for Thermodynamics.
J. Chem. Inf. Model.
Luisa Vollmer, Sophie Fellenz, Fabian Jirasek, Heike Leitte, Hans Hasse
2024 — conf
Visual Scalar Matrix Evaluation: An Application to Thermodynamics.
VisGap@EuroVis
Jan-Tobias Sohns, Dominik Gond, Fabian Jirasek, Hans Hasse, Heike Leitte
2023 J jnl
Deep Anomaly Detection on Tennessee Eastman Process Data.
CoRR
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, Benjamin Klöpper, Stephan Mandt, Michael Bortz, Jakob Burger, Hans Hasse, Marius Kloft
2023 J jnl
Extension of the
J. Chem. Inf. Model.
Sebastian Schmitt, Gajanan Kanagalingam, Florian Fleckenstein, Daniel Froescher, Hans Hasse, Simon Stephan
2022 J jnl
Attribute-based Explanation of Non-Linear Embeddings of High-Dimensional Data.
IEEE Trans. Vis. Comput. Graph.
Jan-Tobias Sohns, Michaela Schmitt, Fabian Jirasek, Hans Hasse, Heike Leitte
2021 J jnl
Attribute-based Explanations of Non-Linear Embeddings of High-Dimensional Data.
CoRR
Jan-Tobias Sohns, Michaela Schmitt, Fabian Jirasek, Hans Hasse, Heike Leitte
2021 J jnl
Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification.
J. Chem. Inf. Model.
Thomas Specht, Kerstin Münnemann, Hans Hasse, Fabian Jirasek
2020 — conf
Molecular Simulation Study on the Influence of the Scratching Velocity on Nanoscopic Contact Processes.
iPMVM
Sebastian Schmitt, Simon Stephan, Benjamin Kirsch, Jan C. Aurich, Eberhard Kerscher, Herbert M. Urbassek, Hans Hasse
2019 J jnl
Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment.
J. Chem. Inf. Model.
Simon Stephan, Monika Thol, Jadran Vrabec, Hans Hasse
2019 J jnl
TweTriS: Twenty trillion-atom simulation.
Int. J. High Perform. Comput. Appl.
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, Dieter Kranzlmüller, Hans Hasse, Hans-Joachim Bungartz, Philipp Neumann
2017 J jnl
ms2: A molecular simulation tool for thermodynamic properties, release 3.0.
Comput. Phys. Commun.
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, Martin Horsch, Hans Hasse, Jadran Vrabec
2016 — conf
Molecular Dynamics Simulation of Nanoscopic Couette Flow and Lubricated Nanoindentation.
HiPC Workshops
Simon Stephan, Martin Lautenschlager, Martin Horsch, Hans Hasse
2016 J jnl
Molecular simulation of the surface tension of real fluids.
CoRR
Stephan Werth, Martin Horsch, Hans Hasse
2016 — conf
Round Robin Study of Molecular Simulation Programs.
HiPC Workshops
Michael Schappals, Hans Hasse
2015 J jnl
ms2: A molecular simulation tool for thermodynamic properties, new version release.
CoRR
Colin W. Glass, Steffen Reiser, Gábor Rutkai, Stephan Deublein, Andreas Köster, Gabriela Guevara-Carrion, Amer Wafai, Martin Horsch, Martin F. Bernreuther, Thorsten Windmann, Hans Hasse, Jadran Vrabec
2014 J jnl
Molecular modelling and simulation of the surface tension of real quadrupolar fluids.
CoRR
Stephan Werth, Katrin Stöbener, Peter Klein, Karl-Heinz Küfer, Martin Horsch, Hans Hasse
2014 J jnl
Multi-criteria optimization in chemical process design and decision support by navigation on Pareto sets.
Comput. Chem. Eng.
Michael Bortz, Jakob Burger, Norbert Asprion, Sergej Blagov, Roger Böttcher, U. Nowak, A. Scheithauer, Richard Welke, Karl-Heinz Küfer, Hans Hasse
2014 J jnl
ls1 mardyn: The massively parallel molecular dynamics code for large systems.
CoRR
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
2014 J jnl
ms2: A molecular simulation tool for thermodynamic properties, new version release.
Comput. Phys. Commun.
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
2013 C conf
591 TFLOPS Multi-trillion Particles Simulation on SuperMUC.
ISC
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, Christoph Niethammer, Arndt Bode, Hans-Joachim Bungartz
2013 J jnl
Computational Molecular Engineering as an Emerging Technology in Process Engineering.
it Inf. Technol.
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
2013 J jnl
Computational molecular engineering as an emerging technology in process engineering
CoRR
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
2013 — ch.
Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces.
High Performance Computing in Science and Engineering
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein, Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, Hans Hasse
2013 J jnl
Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces
CoRR
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein, Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, Hans Hasse
2011 — ch.
Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models.
High Performance Computing in Science and Engineering
Jonathan Walter, Stephan Deublein, Steffen Reiser, Martin Horsch, Jadran Vrabec, Hans Hasse
2011 — conf
Interactive Exploration of Polymer-Solvent Interactions.
VMV
Bertram Thomaß, Jonathan Walter, Michael Krone, Hans Hasse, Thomas Ertl
2011 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids.
High Performance Computing in Science and Engineering
Stefan Eckelsbach, Martin Bernreuther, Cemal Engin, Gabriela Guevara-Carrion, Yow-Lin Huang, Thorsten Merker, Hans Hasse, Jadran Vrabec
2011 J jnl
ms2: A molecular simulation tool for thermodynamic properties.
Comput. Phys. Commun.
Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, Jadran Vrabec
2010 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence.
High Performance Computing in Science and Engineering
Jadran Vrabec, Gabriela Guevara-Carrion, Thorsten Merker, Hans Hasse
2008 — ch.
Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures.
High Performance Computing in Science and Engineering
Bernhard Eckl, Martin Horsch, Jadran Vrabec, Hans Hasse
2008 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols.
High Performance Computing in Science and Engineering
Thorsten Merker, Gabriela Guevara-Carrion, Jadran Vrabec, Hans Hasse
2006 — ch.
Molecular Modeling of Hydrogen Bonding Fluids.
High Performance Computing in Science and Engineering
Thorsten Schnabel, Jadran Vrabec, Hans Hasse