Physical and Theoretical Chemistry
Natural Sciences
Related Projects
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
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
Redox Chemistry of Ternary Graphite Intercalation Compounds
Sodium-ion batteries (SIBs) are considered as alternatives to lithium-ion batteries (LIBs), showing a potential in ...
Natural SciencesPhysical and Theoretical Chemistry
Effektives Potential für ultrakurzpulslaser angeregtes Silizium
Silizium ist eines der wichtigsten Elemente in der modernen Halbleitertechnik und daher unverzichtbar in der Computer- ...
Natural SciencesPhysical and Theoretical ChemistryOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Extracting Hadron Masses from Lattice QCD Simulations at Fixed Topology
Topology is an important concept in physics, e.g. in field theory, in condensed matter physics or in cosmology. Topology ...
Natural SciencesPhysical and Theoretical Chemistry
How does Toluene Dissolve Low-Molecular-Weight Polystyrene?
Many industrial applications, like nanolithography, gas separation based on membranes, plastic recycling and drug ...
Natural SciencesPhysical and Theoretical Chemistry
Importance-Truncated Valence-Space Shell Model and Energy-Variance Extrapolation
In nuclear structure theory, models have been developed which describe nuclear properties precisely. One well ...
Natural SciencesPhysical and Theoretical ChemistryOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Influence of Magnetic Material on Tunnel Magnetoresistance and Spin-Transfer Torque in MgO-based Tunnel Junctions
Some Heusler alloys, for example intermetallic compounds of the stoichiometric composition X2YZ with L21 structure,[1] ...
Natural SciencesPhysical and Theoretical ChemistryOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Ionenspezifische Effekte auf das Faltungsgleichgewicht von Polyacrylamiden
Im Rahmen meiner Masterarbeit beschäftige ich mit dem Einfluss von Ionen auf das Faltungsgleichgewicht von ...
Natural SciencesPhysical and Theoretical Chemistry-
Molecular Models of Wetting and Adhesion Phenomena
Our research activity deals with interfaces and especially with adhesion and wetting phenomena between liquids and soft ...
Natural SciencesPhysical and Theoretical Chemistry -
Molecular Perspective of Wetting: Simulation and Theory
In our daily life and many of industrial applications, we usually find fluids which interact with solid substrates ...
Natural SciencesPhysical and Theoretical Chemistry 
p-Pb collisions at 5.02 TeV in the PHSD Transport Approach
The Parton Hadron String Dynamics (PHSD) transport model that successfully describes the evolution of relativistic heavy ...
Natural SciencesPhysical and Theoretical Chemistry-
Peptide Backbone Effect on Hydration Free Energies of Amino Acid Side Chains
The driving forces of different biological processes like protein folding and protein-protein association are very ...
Natural SciencesPhysical and Theoretical Chemistry 
Scale-up of Calcium Carbonate Looping Technology for Efficient CO2 Capture from Power and Industrial Plants
Multiphase flows are widely present in chemical processes, energy supply and carbon capture and storage technologies ...
Natural SciencesPhysical and Theoretical ChemistryEngineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Thermische Leitfähigkeit in Silizium-Isotopen-Vielfachschichten
Das Element Silizium ist auf der Erde das zweithäufigste Element und daher für die Menschheit nahezu unbegrenzt ...
Natural SciencesPhysical and Theoretical ChemistryParticles, Nuclei and Fields -
Thermodynamic Mechanism of the Osmolyte Effects on the Folding/ Unfolding Equilibrium of (Bio)macromolecules in Aqueous Solution
Macromolecules in aqueous solution, such as water soluble polymers or proteins, coexist as an ensemble of folded states ...
Natural SciencesPhysical and Theoretical Chemistry 
Orbital-Dependent Exchange-Correlation Energy Functionals
In this phase of the project the exact exchange (EXX) of density functional theory was applied to both free-standing ...
Natural SciencesChemical Solid State and Surface ResearchPhysical and Theoretical Chemistry
