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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Projekte
Displaying 91 - 120 of 315
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of SnN (20 ≤ N ≤ 40)
The previous investigation of neutral SnN clusters with N = 6 - 20 showed that for clusters with N ≤ 15 prolate ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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
Photoelectron Circular Dichroism Induced by Coherent Broadband Laser Pulses
Our hands are an example for chiral objects: they cannot be brought to coincide with its mirror image by any rotations ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
Quantifying the Dynamic Acceleration upon Coarse-Graining Using Machine Learning
Coarse-Grained molecular dynamics simulation is a promising alternative to all-atom molecular dynamics simulation for ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Rational Design of Narrow-Hysteresis Materials by Tailoring Magnetoelastic Interactions II
The current project aims to reveal the relevant intrinsic mechanisms responsible for the coupling of the lattice and ...
NaturwissenschaftenPhysik der kondensierten Materie
Simulation of Diamond Based Quantum Token
NV centers – a nitrogen atom together with a vacancy – embedded in diamond provide a promising system to generate ...
NaturwissenschaftenPhysik der kondensierten Materie
Structure Discrimination of SnNGa with N = 9–15
Since semiconductors are fundamental for modern technologies, the research is focused on such materials and their ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Understanding and Exploiting an Iron Catalysed Route to New Chemical Synthons
The project focuses on an iron catalysed method to prepare unprecedented chemical synthons, developed in the group of Dr ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Unraveling SARS-Cov-2 Spike Protein Conformational Dynamics Under the Influence of Electric Fields
The spike glycoprotein's interaction with the ACE2 receptor on the host cell is the crucial initial step for virus entry ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
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 ...
NaturwissenschaftenTeilchen, Kerne und Felder
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
Bayesian Inference of Cyclic Transcription Dynamics
Transcription is the process of converting DNA into RNA and is essential to cellular life. The transcription process ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik-
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
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
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
First-Principles Calculations of Spectroscopic Signatures I
Ideal one-dimensional (1D) electronic systems are fascinating, as they show quantisation of conductance, charge-density ...
NaturwissenschaftenPhysik der kondensierten Materie-
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 ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik 
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 ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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
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 ...
NaturwissenschaftenTeilchen, Kerne und Felder
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-
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
