Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 26 of 26
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 ...
Natural SciencesParticles, Nuclei and Fields
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 ...
Natural SciencesParticles, Nuclei and Fields
Influence of Mixing Processes on the Performance of High-Pressure Polymerization I
In industrial low-density polyethylene (LDPE) production, mixtures of organic peroxide initiators are used to start the ...
Engineering SciencesProcess Engineering, Technical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesParticles, Nuclei and Fields
Optical Absorption Studies and Quantum Chemistry of a Tin Nanoparticle
Semiconductors are the fundament of modern technology and still in the focus of current research. With decreasing size ...
Natural SciencesPhysical and Theoretical Chemistry
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
Precision Scale Setting Directly at High Temperatures Using Gradient Flow
The overarching goal of our research project is the determination of the QCD topological susceptibility Xtop(T) at very ...
Natural SciencesParticles, Nuclei and Fields
Quantum Chemical Investigation of Spectroscopic Properties of Iron Complexes as Models for Fe-N-C Fuel Cell Catalysts
Fe-N-C catalysts are a promising substitution material for rare and expensive platinum catalysts on the cathodic side of ...
Natural SciencesPhysical and Theoretical Chemistry
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
Computational Analysis of GPCR Biased Signaling
G protein-coupled receptors (GPCRs) constitute a large family of membrane proteins which share a conserved structural ...
Life SciencesMedicine
Cononsolvency in Aqueous Alcohols Solutions
Smart polymers respond to environmental factors such as change in temperature, pH, or solvent. An example is the ...
Natural SciencesPhysical and Theoretical Chemistry
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry
Electrical Conductivity and Relaxation via Colored Noise in a Hadronic Gas
Calculating transport properties such as the electrical conductivity of a strongly interacting hadron gas is a difficult ...
Natural SciencesParticles, Nuclei and Fields-
Fully Open-Shell Medium-Mass Nuclei and Electromagnetic Observables for Ab Initio Nuclear Structure I
The ab initio description of nuclear physics phenomena has progressed tremendously over the past years. In particular ...
Natural SciencesParticles, Nuclei and Fields 
Global Optimization of Aluminum-doped Tin Clusters
Semiconductors are the fundament of modern technology and as such still a topic of current research. With decrease in ...
Natural SciencesPhysical and Theoretical Chemistry
Hadronic Non-Equilibrium Photon Production
The smallest constituents of matter and their properties are studied by means of relativistic heavy ion collisions ...
Natural SciencesParticles, Nuclei and Fields
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
The influence of osmolytes, like Trimethylamine-N-oxide (TMAO) and urea, on protein folding is well studied, yet the ...
Natural SciencesPhysical and Theoretical Chemistry
Investigation of Vacancy Diffusion in Crystalline LIPON Compounds by Means of Density Functional Theory
Due to an ever-increasing energy demand worldwide, new and efficient energy storage systems are needed more and more ...
Natural SciencesPhysical and Theoretical Chemistry-
Matrix Elements of Next-Generation Chiral Interactions
In recent years interactions from chiral effective field theory (chiral EFT) have been used very successfully in ab ...
Natural SciencesParticles, Nuclei and Fields 
Matrix Isolation of Sulfur Containing Reactive Intermediates
Sulfur-containing compounds present in the earth’s atmosphere impact cloud formation and thus our climate. The main ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry-
Numerical Simulation of Physiological Pulsuating Flows in Aneurysm Models
In the present investigation, the Lichtenberg supercomputer was used for the numerical simulation of steady and ...
Life SciencesMedicineNatural SciencesNumerical Mathematics and OptimizationEngineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
Role of Preferential Cosolvent Adsorption in Cononsolvency
Cononsolvency refers to the effect in which a polymer chain in good solvent collapses when it is mixed with an ...
Natural SciencesPhysical and Theoretical Chemistry
Slip Spring DPD Simulations of Flash Nano-Precipitation from Polymer Solutions
A recent and promising method to synthesize nanoparticles of defined size and structure is the so-called flash ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry
Transverse Momentum Broadening of High-Energy Partons From 3D Lattice EQCD Simulations
Quantum Chromodynamics (QCD) is the theory of the strong nuclear force. Analogously to the theory of the electromagnetic ...
Natural SciencesParticles, Nuclei and Fields-
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry
