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The method of calculating the free energy and thermodynamic characteristics of the classical n-vector three-dimensional (3D) magnetic model at the microscopic level without any adjustable parameters is proposed. Mathematical description is…
In chemotaxis, cells are modulating their migration patterns in response to concentration gradients of a guiding substance. Immune cells are believed to use such chemotactic sensing for remotely detecting and homing in on pathogens.…
We investigate an analytically tractable toy model for thermally induced polymorphic dynamics of cooperatively rearranging biofilaments - like microtubules. The proposed 4 -block model, which can be seen as a coarse-grained approximation of…
Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…
The thermodynamics and dynamics of supercooled liquids correlate with their elasticity. In particular for covalent networks, the jump of specific heat is small and the liquid is {\it strong} near the threshold valence where the network…
Standard spectroscopic analyses of variable stars are based on hydrostatic one-dimensional model atmospheres. This quasi-static approach has theoretically not been validated. We aim at investigating the validity of the quasi-static…
The designer's preoccupation to reduce the energy needs and get a better thermal quality of ambiances helped in the development of several packages simulating the dynamic behaviour of buildings. This paper shows the adaptation of a method…
In structure-based models of proteins, one often assumes that folding is accomplished when all contacts are established. This assumption may frequently lead to a conceptual problem that folding takes place in a temperature region of very…
The paper deals with an empirical validation of a building thermal model. We put the emphasis on sensitivity analysis and on research of inputs/residual correlation to improve our model. In this article, we apply a sensitivity analysis…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
It is argued that a typical many body energy eigenstate has a well defined thermodynamic entropy and that individual eigenstates possess thermodynamic characteristics analogous to those of generic isolated systems. We examine large systems…
Robot controllers are often optimised for a single robot in a single environment. This approach proves brittle, as such a controller will often fail to produce sensible behavior for a new morphology or environment. In comparison, animal…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
The thermodynamics of a long self-repulsive chain is studied. In $D<4$ dimensions it shows two distinctly different regimes, corresponding to weak and strong correlations in the system. A simple microscopic analytical model is presented…
In deep learning-based classification tasks, the softmax function's temperature parameter $T$ critically influences the output distribution and overall performance. This study presents a novel theoretical insight that the optimal…
Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…
Chemical reactions on metal surfaces are important in various processes such as heterogeneous catalysis and nanostructure growth. At moderate or lower temperatures, these reactions generally follow the minimum energy path and temperature…
We propose a theory based on simple physical arguments that describes a non equilibrium steady-state by a temperature-like parameter (an "effective temperature"). We show how one can predict the effective temperature as a function of the…
Recent progress in experimental techniques has enabled us to quantitatively study stochastic and flexible behavior of biological systems. For example, gene regulatory networks perform stochastic information processing and their…
The scaling behavior of the thermoelectric transport properties in disordered systems is studied in the energy region near the metal-insulator transition. Using an energy-dependent conductivity $\sigma$ obtained experimentally, we extend…