Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 30
Ab Initio No-Core Shell Model
The prime goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on ...
Natural SciencesParticles, Nuclei and Fields
Automatic Code Parallelization
The Software-Factory 4.0 (SF4.0) is a 4-year LOEWE1 project funded by the German State of Hesse and involves several ...
Engineering SciencesComputer Science
Bayesian Inference of Cyclic Transcription Dynamics
Transcription is the process of converting DNA into RNA and is essential to cellular life. The transcription process ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Correctness Checking of MPI Derived Datatypes Using TypeART
The message passing interface (MPI) is the de-facto standard for distributed high performance computing. However, it ...
Engineering SciencesComputer Science
Designing an Efficient Neural Architecture Search
Within the last decade, deep neural networks have attracted much attention from academia and industry. Such a wide ...
Engineering SciencesComputer Science
Distributionally Robust Trajectory Optimization Under Uncertain Dynamics via Relative-Entropy Trust Regions
Trajectory optimization and model predictive control are essential techniques underpinning advanced robotic applications ...
Engineering SciencesComputer Science
Effect of Infinite Time-Horizons on Genetic Algorithms
Genetic Algorithms (GAs) are a popular heuristic optimization method inspired by biological evolution. We implemented a ...
Engineering SciencesComputer Science
Elucidating the CO2 Activation in the Context of the Reverse Water Gas Shift Reaction
The aim of the last project was to understand the CO2 activation over Au and Cu loaded ceria and bare indium oxide. In ...
Natural SciencesChemical Solid State and Surface Research
First-Principles Calculations of Spectroscopic Signatures I
Ideal one-dimensional (1D) electronic systems are fascinating, as they show quantisation of conductance, charge-density ...
Natural SciencesTheoretical Condensed Matter Physics-
From RNA Sequence to Coarse-Grained Molecular Dynamics
The dynamics of large biomolecules such as proteins or RNAs provide an important insight into their function and ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics 
Fully Open-Shell Medium-Mass Nuclei and Electromagnetic Observables for Ab Initio Nuclear Structure II
The ab initio description of nuclear structure phenomena has progressed tremendously over the past years. In particular ...
Natural SciencesParticles, Nuclei and Fields
High-Throughput Design of New Perovskite Oxide Antiferroelectric Materials
Antiferroelectric (AFE) materials have recently been of a great interest, due to their unique applications in the energy ...
Natural SciencesTheoretical Condensed Matter Physics
Interplay Between Spin Orbital and Lattice Degrees of Freedom in Multiferroic and Orbital Ordered Oxide Systems
The electronic structure plays a key role in determining the physical properties of highly correlated electron systems ...
Natural SciencesTheoretical Condensed Matter Physics-
Inverse Reinforcement Learning by Matching Feature Distributions
Reinforcement Learning is a powerful approach to achieve optimal behaviour. However, it typically requires a manual ...
Engineering SciencesComputer Science 
Investigation of the Electronic Structure of Nitrogen Photoactivation Complexes
Ammonia derived from atmospheric N2 and fossil H2 in the Haber-Bosch process represents the main source of nitrogen ...
Natural SciencesPhysical and Theoretical Chemistry
Learning Physically Interactive Behaviours for Human-Robot Interaction
Modeling interaction dynamics to generate robot trajectories that enable a robot to adapt and react to a human’s actions ...
Engineering SciencesComputer Science
Matrix Elements of New Families of Chiral Interactions
The goal of ab initio nuclear structure theory is the description of nuclei from first principles without uncontrolled ...
Natural SciencesParticles, Nuclei and Fields
Measure-Valued Derivatives for Reinforcement Learning
Reinforcement learning methods for robotics are increasingly successful due to the constant development of better policy ...
Engineering SciencesComputer Science
Modeling of Large Proteins in DNA Repair
DNA-PKcs is a gateway protein of the Non-Homologous End Joining DNA Repair Pathway. Which is the process of repairing ...
Natural SciencesEngineering SciencesComputer Science-
Noise Resilient Empirical Performance Modeling with Deep Neural Networks
Empirical performance modeling is a proven instrument to analyze the scaling behavior of HPC applications. Using a set ...
Engineering SciencesComputer Science 
Numerical Methods for the Model of Spatial Random Permutations and a Connection to Schramm-Loewner Evolution I
We made several numerical calculations regarding the model of Spatial Random Permutations (SRP). This is a model in ...
Natural SciencesMathematics
Optical Absorption Studies and Quantum Chemistry of a Tin Nanoparticle
Semiconductors are the fundament of modern technology and still in the focus of current research. With decreasing size ...
Natural SciencesPhysical and Theoretical Chemistry
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of Sn+N (20≤N≤40) Clusters
Semiconductor materials are of great importance in the development of technological devices. In particular, the trend ...
Natural SciencesPhysical and Theoretical Chemistry
Precision Scale Setting Directly at High Temperatures Using Gradient Flow
The overarching goal of our research project is the determination of the QCD topological susceptibility Xtop(T) at very ...
Natural SciencesParticles, Nuclei and Fields
Quantum Chemical Investigation of Spectroscopic Properties of Iron Complexes as Models for Fe-N-C Fuel Cell Catalysts
Fe-N-C catalysts are a promising substitution material for rare and expensive platinum catalysts on the cathodic side of ...
Natural SciencesPhysical and Theoretical Chemistry
Rational Design of Narrow-Hysteresis Materials by Tailoring Magnetoelastic Interactions
One important aim of modern energy-conserving technologies is magnetic cooling at room temperature. This environmentally ...
Natural SciencesTheoretical Condensed Matter PhysicsEngineering SciencesMaterials Science
Scalability of OpenMP
This project is concerned with promoting a more efficient usage of the HPC Systems. The two major technologies used to ...
Engineering SciencesComputer Science
SpannEnD
The crustal stress state is an important information for many geological applications, e.g. directional drilling ...
Natural SciencesGeophysics and Geodesy
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
When to Trust Your Model in Model-based Value Expansion?
Model-based value expansion methods promise to improve the quality of value function targets and, thereby, the ...
Engineering SciencesComputer Science
