Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 151 - 180 of 338
Calculating Photoelectron Binding Energies on Organic Molecules to Assist Photoemission Spectra Interpretation
The photoelectron spectroscopy data of organic molecules, in our case organic semiconductors, are mainly dominated by ...
Natural SciencesChemical Solid State and Surface Research
Calculations of Vibrational Spectra for Different Facets of Ceria Using Density Functional Theory (DFT)
Ceria is an important support material for precious metals to catalyze oxidation reactions such as CO oxidation or the ...
Natural SciencesChemical Solid State and Surface Research
Color Center Formation Induced by Femtosecond Lasers
The interactions of ultrashort-light pulses with solids and nanostructures is a continuously growing area due to the ...
Natural SciencesTheoretical Condensed Matter Physics
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
Computationally-Intensive Subproblems in FPGA-Based Accelerator Design
Field-Programmable Gate Arrays (FPGA) contain programmable logic elements that can accommodate application-specific ...
Engineering SciencesComputer Science
Constraint Space Projection Reinforcement Learning
The aim of the project is to develop a new family of optimization algorithms to handle convex constraints and evaluate ...
Engineering SciencesComputer Science
Design-Space Exploration for FPGA-Accelerators in Cloud Environments
FPGA cards are increasingly deployed to cloud data centers and made available to users as platform for the ...
Engineering SciencesComputer Science
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
Natural SciencesMathematics-
Evaluating and Improving Recurrent Kalman Networks
Precise models of the system dynamics are crucial for model-based control and reinforcement learning (RL) in autonomous ...
Engineering SciencesComputer Science 
First-Principles Calculations on Grain Boundaries in Nanocrystalline Graphene
The modification of intrinsic properties of graphene via defects, such as grain boundaries, has been an intense field of ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening and Tuning of Magnetic Two Dimensional Materials
The demand of minimization and feasibility of integration makes two-dimensional (2D) materials remarkable in promising ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening for Spin-Polarized Current in Noncollinear Materials
Like perovskite materials, antiperovskites (APVs) display many intriguing physical properties. Particularly, the ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening of Topological Properties in Ferromagnets
In this work, we performed first-principles calculations to evaluate the anomalous Hall conductivity as well as the ...
Natural SciencesTheoretical Condensed Matter Physics
Improved Dynamics in Hybrid Particle-Field Simulations of Polymers With Slip-Spring Model
Entanglements between polymer chains are demonstrated as one of the key factors to modulate the macroscopic physical ...
Natural SciencesPhysical and Theoretical Chemistry
Interpretable Reinforcement Learning
Deep Reinforcement Learning can solve difficult high dimensional tasks, by exploiting the expressive representation ...
Engineering SciencesComputer Science
Large-Scale Configuration Interaction for Ab Initio Nuclear Structure
The goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on the ...
Natural SciencesParticles, Nuclei and Fields
Laser-Induced Generation Nanostructures and Nanoparticles of Different Materials in Different Media: Molecular Dynamics Investigation
The mechanisms of laser-matter interaction are of great importance for many applications including the development of ...
Natural SciencesTheoretical Condensed Matter Physics-
Model Learning With Recurrent Kalman Networks
Recurrent State-space models (RSSMs) are highly expressive models for learning patterns in time series data and system ...
Engineering SciencesComputer Science -
Multi-Label Rule Learning
This project aimed at solving multi-label classification problems using rule learning algorithms. Multi-label ...
Engineering SciencesComputer Science 
Network Traffic Prediction with Neural Networks
The bursty nature of network traffic is one of the main reasons for congestion in data centers, since traffic loads are ...
Engineering SciencesComputer Science
Parallelizing the Level 2A Processor for Sentinel-2 Satellite Imagery
In June 2017, the European Space Agency started systematic Level 2A processing of Sentinel- 2 acquisitions over Europe ...
Engineering SciencesComputer Science-
Performance Modeling at a Discount
Identifying scalability bugs in parallel applications is a vital but also laborious and expensive task. Empirical ...
Engineering SciencesComputer Science 
Phase Diagram Calculations for 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
Prebiotic Formation of Sugars and Amino Acids Using Aminomethylene
After the matrix isolation of aminomethylene (H-C̈-NH2)[1] we study further the formation of amino acids and sugars in ...
Natural SciencesMolecular Chemistry-
Stochastic Search for Applications in Robotics
Stochastic-search algorithms are problem independent algorithms well-suited for black-box optimization of an objective ...
Engineering SciencesComputer Science 
Topological Susceptibility at High Temperatures from Lattice Quantum Chromodynamics
The theory of the strong interaction, Quantum Chromodynamics, is known to have complicated topological structures called ...
Natural SciencesParticles, Nuclei and Fields
Ab Initio Calculations of the Redox Chemistry in Alkali-Oxygen Batteries
Alkali metal-oxygen batteries have a particularly high energy density and therefore concepts for rechargeable batteries ...
Natural SciencesPhysical and Theoretical Chemistry
Ab-Initio Description of Phase Transitions in TiO2 and Ab-Initio Molecular Dynamics Simulations of Ultrafast Excited Graphene and Amorphous Carbon
The understanding of the interaction of ultrashort light pulses with solids and nanostructures is important for both ...
Natural SciencesTheoretical Condensed Matter Physics-
Adaptive Numerical Wavelet Frame Methods for Elliptic and Parabolic Operator Equations, Inverse Problems, and Stochastic Evolution Equations
Many real-world phenomena are modelled by partial differential equations. Even in relatively low dimensions, the ...
Natural SciencesMathematics 
Alternative Ephemeris Representations for Astrodynamical Simulations on Multi-Core CPUs and Accelerator Cards
Spacecraft missions of the European Space Agency (ESA) are required to meet specific probabilistic requirements ...
Engineering SciencesComputer Science
