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Displaying 61 - 90 of 147
Electronic Structure Calculations on the Influence of Alkali Metals on the Properties of Ag-Containing Cu(In, Ga)(S, Se)2 Absorber Materials
The compound semiconductor system Cu(In, Ga)(S, Se)2 (short: CIGS) forms the basis for the currently most efficient thin ...
IngenieurwissenschaftenMaterialwissenschaft
exaFOAM - Performance Analysis and Modeling of OpenFOAM
The exaFOAM project (https://exafoam.eu) aims at overcoming the current limitations of Computational Fluid Dynamics (CFD ...
IngenieurwissenschaftenInformatik
Gradient-Based Variational Inference by Policy Search
In variational inference, we want to approximate an intractable target distribution (often given as a posterior ...
IngenieurwissenschaftenInformatik
Hypergraphon Mean Field Games
Recent developments in the field of complex systems have shown that real-world multiagent systems are often not ...
Engineering SciencesComputer Science
Interatomic Potentials for Amorphous Solids From Second Principles
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
IngenieurwissenschaftenMaterialwissenschaft
Investigation of Domain Switching Mechanics of Perovskite Ferroelectrics using Molecular Dynamics Simulations
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
IngenieurwissenschaftenVerfahrenstechnik, Technische ChemieMaterialwissenschaft
Optimized Scaling of ISSM
In previous project we investigated on the scaling and the load balancing of the Ice-sheet and Sea-level System Model ...
IngenieurwissenschaftenInformatik
Performance Analysis of the Ice-Sheet and Sea-Level System Model (ISSM)
Earth modeling is a wide field of different scientific domains, e.g., ice-modeling. All domains have in common, that ...
IngenieurwissenschaftenInformatik
Performance Enginnering of the Confined Unconfined Aquifer System Model (CUAS)
In the context of earth system modeling the simulation of ice-sheets is an important aspect. Ice-sheet modeling contains ...
IngenieurwissenschaftenInformatik-
Performance Monitoring for Future Exascale Systems
Typical HPC applications represent simulations of large scientific problems. Usually, these applications alternate ...
IngenieurwissenschaftenInformatik 
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
IngenieurwissenschaftenMaterialwissenschaft
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials I
Layered transition metal oxides are employed as cathode materials in high-voltage, rechargeable lithium ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
Ab-initio Modeling of Battery Materials
One approach to the realization of safer batteries relies on all solid-state batteries (ASSB) which use a non-flammable ...
IngenieurwissenschaftenMaterialwissenschaft
Ab-Initio Thermodynamics of Refractory Mo-Si-Ti Phases at High Temperatures
Refractory metal silicide systems like Mo-Si-Ti are expected to be ideal substrates in composite materials for high ...
IngenieurwissenschaftenMaterialwissenschaft
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 ...
IngenieurwissenschaftenInformatik
Calculating Temperature Dependent Properties of 2D Magnets
Predicting the temperature dependent properties of magnetic materials is still challenging, which cannot be dealt with ...
IngenieurwissenschaftenMaterialwissenschaft-
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 ...
IngenieurwissenschaftenInformatik 
Designing an Efficient Neural Architecture Search
Within the last decade, deep neural networks have attracted much attention from academia and industry. Such a wide ...
IngenieurwissenschaftenInformatik
Determination of Effective Electric Conductivity of UFG/PEI-Composites Considering Quantum Mechanical Tunnelling Effects
To reduce fuel consumption, the focus in vehicle construction shifts to lightweight constructions based on Mg or Al ...
IngenieurwissenschaftenMaterialwissenschaft
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 ...
IngenieurwissenschaftenInformatik
Effect of Infinite Time-Horizons on Genetic Algorithms
Genetic Algorithms (GAs) are a popular heuristic optimization method inspired by biological evolution. We implemented a ...
IngenieurwissenschaftenInformatik
High Throughput Optimization of Permanent Magnetic Materials
Magnetic materials are key components for energy harvesting and conversion, information technology and sensor ...
IngenieurwissenschaftenMaterialwissenschaft-
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 
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 ...
IngenieurwissenschaftenInformatik
Measure-Valued Derivatives for Reinforcement Learning
Reinforcement learning methods for robotics are increasingly successful due to the constant development of better policy ...
IngenieurwissenschaftenInformatik
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 ...
NaturwissenschaftenIngenieurwissenschaftenInformatik
Molecular Dynamics Simulation of Laser Powder Bed Fusion of Metallic Glasses
The fabrication of metallic glasses by laser powder melt fusion provides a new way for the synthesis of metallic glasses ...
IngenieurwissenschaftenMaterialwissenschaft
Multi-Scale Modeling of Additive Manufactured Magnetic Materials
In 2018, Gottschall et al. proposed a multi-stimulit concept for magnetocaloric cooling. [1] The energy consumption ...
IngenieurwissenschaftenMaterialwissenschaft-
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 ...
IngenieurwissenschaftenInformatik 
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 ...
NaturwissenschaftenPhysik der kondensierten MaterieIngenieurwissenschaftenMaterialwissenschaft
