The local physical properties - such as shape and flexibility - of the DNA double-helix is today widely believed to be influenced by nucleic acid sequence in a non-trivial way. Furthermore, there is strong evidence that these properties play a role in many ...
Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...
We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges, but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows for the generation of graphs with extens ...
Atomistic simulations are a bottom up approach that predict properties of materials by modelling the quantum mechanical behaviour of all electrons and nuclei present in a system. These simulations, however, routinely assume nuclei to be classical particles ...
We use complex semiclassical method to compute scattering amplitudes of a point particle in dilaton gravity with a boundary. This model has nonzero minimal black hole mass M-cr. We find that at energies below M-cr the particle trivially scatters off the bo ...
The entropy change during spin relaxation for a realistic model system is studied, whose spin dynamics can be handled with the Boltzmann equation. The time evolution of the von Neumann entropy is monitored during the process and is compared with the recent ...
Statistical analyses of the first pop-in stress data, obtained by spherical tip-nanoindentation experiments on different metallic glasses (MGs) with tip radius, R-i, loading rate, (P) over dot, and structural state of the glass as experimental variables, s ...
Schizophrenia is a complex and devastating mental disorder that influences how one behaves, feels, and thinks. It affects a little less than 1 % of the world population and it is understood to be partly genetically mediated. Several genetic risk factors of ...
Motivated by improving the performance of particle-based Monte-Carlo simulations in the transitional regime, Fokker–Planck kinetic models have been devised and studied as approximations of the Boltzmann collision operator. By generalizing the linear drift ...
There is still lack of knowledge about the aerosols physics and chemistry and consequently their impact on climate and health. The complexity of involved chemical interactions makes the characterization of these particles with experimental studies challeng ...
