Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 62
Controlling the Aggregation of Phosphorescent alkynyl-Pt-NHC Complexes via Silyl-DED Substitution
Non-covalent interactions (NCIs) not only govern the structure biomacromolecules such as proteins and DNA, but often ...
Natural SciencesPhysical and Theoretical Chemistry
CompuGene Student Lab Protein Engineering
The field of protein engineering is a rapidly evolving area of research that holds great promise for numerous ...
Engineering SciencesComputer Science
Learning by Building: Construction of Voltage-Dependent Ion Channels from Modular Components II
Voltage-dependent K+ channels are facilitators of a diverse set of physiological processes, including neuronal signaling ...
Life Sciences
Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters
The previous investigation of SnN clusters with N = 6−40 showed that below a clusters size of about 30 atoms, a prolate ...
Natural SciencesPhysical and Theoretical Chemistry-
Aeroacoustics Simulation Using Partially-Averaged-Navier-Stokes Around the Ahmed Body
Aeroacoustics is a critical research field that studies sound generated by turbulent flows interacting with solid ...
Heat Energy Technology, Thermal Machines, Fluid MechanicsEngineering Sciences 
Investigation of Spin Isomers in SnNFe with N = 8-16
In the framework of the Collaborative Research Center (CRC 1487), iron is studied as a substitute for rare-earth metals ...
Natural SciencesPhysical and Theoretical Chemistry
Learning by Building: Construction of Voltage-Dependent Ion Channels From Modular Components
As facilitators of ionic currents across biological membranes, voltage-dependent K+ channels are involved in a broad ...
Life SciencesBasic Research in Biology and Medicine
MD-Simulations to Study the Effect of Electric Fields on the SARS-CoV-2 Postfusion Structure
The interaction between the Spike (S) glycoprotein and the ACE2 receptor on the host cell constitutes the pivotal ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Structure Discrimination and Magnetic Properties of FeSnN with N =8–15
In the framework of the Collaborative Research Center (CRC 1487), iron is studied as a substitute for rare-earth metals ...
Natural SciencesPhysical and Theoretical Chemistry
Understanding and Exploiting an Iron Catalysed Route to New Chemical Synthons II
The project focuses on an iron catalysed method to prepare unprecedented chemical synthons, developed in the group of Dr ...
Natural SciencesPhysical and Theoretical Chemistry
Aeroacoustics Simulation using Partially-Averaged-Navier-Stokes Model
Aeroacoustics studies the creation and spread of sound from unsteady flow with solid structures. Computational ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
Protein stability in the complex solution environment of the living cell depends on several environmental factors ...
Natural SciencesPhysical and Theoretical Chemistry 
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 ...
Natural SciencesPhysical and Theoretical Chemistry
Structure Discrimination of SnNGa with N = 9–15
Since semiconductors are fundamental for modern technologies, the research is focused on such materials and their ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Unsteady Modeling and Simulation of Oxy-Fuel Combustion Chambers
To reduce the C02 footprint of the current energy and transport sector, hydrogen has become one of the most promising ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Acoustic Simulation of Fluid and Rigid Objects Impacting in a Water Pool
Since the beginning of the past century people are interested in the mechanisms which produce the sound caused by a drop ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Aeroacoustics Simulation Using Partially-Averaged-Navier-Stokes Model
In recent years studying the field of aeroacoustics has been received special attention from researches for its ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
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
Molecular Dynamics Study of the Sodium/Potassium Channels HCN
Ion channels play a fundamental key role in all living organisms and are crucial for the signal transduction of neurons ...
Life SciencesBasic Research in Biology and Medicine-
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 
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
Simulation of Aeroacoustic Effects Induced by Fluid-Structure Interaction
Aerodynamic sound contributes significantly to the noise emission of high-speed applications such as trains, aircraft ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Unsteady Modeling and Simulation of Oxy-Fuel Combustion Chambers
Among the major sources of energy supply, pulverized coal combustion (PCC) will remain one most dominant contributors in ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesMolecular Chemistry
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
Molecular Dynamics Study of the Sodium/Potassium Channels HCN
Ion channels play a fundamental key role in all living organisms and are crucial for the signal transduction of neurons ...
Life SciencesBasic Research in Biology and Medicine-
Performance Modeling at a Discount
Identifying scalability bugs in parallel applications is a vital but also laborious and expensive task. Empirical ...
Engineering SciencesComputer Science
