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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 1 - 30 of 33
A Cosolvent Surfactant Mechanism Affects Polymer Collapse in Miscible Good Solvents
The coil-globule transition of aqueous polymers is of profound significance in understanding the structure and function ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Ab Initio Calculations on the Intrinsic Spin Hall Effect
The field of spintronics recently gained much interest because it promises faster, smaller and less energy consuming ...
NaturwissenschaftenPhysik der kondensierten Materie
Ab-Initio Molecular Dynamics Simulations of Ultrafast Excited Graphite and Amorphous Carbon
Femtosecond laser pulses excite the electrons of matter to a high temperature whereas the ions remain mainly unaffected ...
NaturwissenschaftenPhysik der kondensierten Materie
Activation of Small Molecules With Metal-Free Systems
Ammonia borane (NH3BH3) is an easy to handle solid capable of releasing up to 3 equivalents of dihydrogen and therefore ...
NaturwissenschaftenMolekülchemie
Analysis of Magnetically Coupled Wavefunctions in Transition Metal Complexes
Magnetic interactions in transition metal complexes arise from coupling of unpaired electrons, usually localized ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Approximately Solving Mean Field Games via Entropy-Regularized Deep Reinforcement Learning
Reinforcement Learning (RL) has proven to be an empirically very successful approach to solving sequential decision ...
IngenieurwissenschaftenInformatik
Balloon Estimators for Improving and Scaling the Nonparametric Off-Policy Policy Gradient
The Nonparametric Off-Policy Policy Gradient (NOPG) is a policy gradient algorithm to solve reinforcement learning tasks ...
IngenieurwissenschaftenInformatik
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie
Computationally-Intensive Subproblems in FPGA-Based Accelerator Design
Field-Programmable Gate Arrays (FPGA) contain programmable logic elements that can accommodate application-specific ...
IngenieurwissenschaftenInformatik
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 ...
IngenieurwissenschaftenInformatik
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 ...
IngenieurwissenschaftenInformatik
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
NaturwissenschaftenMathematik-
Evaluating and Improving Recurrent Kalman Networks
Precise models of the system dynamics are crucial for model-based control and reinforcement learning (RL) in autonomous ...
IngenieurwissenschaftenInformatik 
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
High Throughput Screening for Spin-Polarized Current in Noncollinear Materials
Like perovskite materials, antiperovskites (APVs) display many intriguing physical properties. Particularly, the ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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 ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 ...
NaturwissenschaftenPhysik der kondensierten Materie-
Model Learning With Recurrent Kalman Networks
Recurrent State-space models (RSSMs) are highly expressive models for learning patterns in time series data and system ...
IngenieurwissenschaftenInformatik -
Multi-Label Rule Learning
This project aimed at solving multi-label classification problems using rule learning algorithms. Multi-label ...
IngenieurwissenschaftenInformatik 
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 ...
IngenieurwissenschaftenInformatik
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 ...
IngenieurwissenschaftenInformatik-
Performance Modeling at a Discount
Identifying scalability bugs in parallel applications is a vital but also laborious and expensive task. Empirical ...
IngenieurwissenschaftenInformatik 
Phase Diagram Calculations for Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
