Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
Kategorie
Jahr
Software
Universität
Cluster
Projekte
Displaying 1 - 10 of 10
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
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
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
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 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
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-
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
