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The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understanding dynamics of the deposition process is important for…
We review progress towards direct simulation of quantum dynamics in many-body systems, using recently developed stochastic gauge techniques. We consider master equations, canonical ensemble calculations and reversible quantum dynamics are…
Let $\mathcal{F}$ be a $C^2$ random partially hyperbolic dynamical system. For the unstable foliation, the corresponding unstable metric entropy, unstable topological entropy and unstable pressure via the dynamics of $\mathcal{F}$ on the…
The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The…
We describe the thermodynamic state of a highly confined single-phase and single-component fluid in a slit pore using Hill's thermodynamics of small systems. This theory was more recently named nanothermodynamics. We start by constructing…
A kinetic approach for the evolution of ultracold neutral plasmas including interionic correlations and the treatment of ionization/excitation and recombination/deexcitation by rate equations is described in detail. To assess the…
The suggested approach makes it possible to produce a consistent description of motions of a physical system. It is shown that the concept of force fields defining the systems dynamics is equivalent to the choice of the corresponding metric…
Magnetic nanoparticles have emerged as a promising approach to improving cancer treatment. However, many novel nanoparticle designs fail in clinical trials due to a lack of understanding of how to overcome the in vivo transport barriers. To…
With recent advances in structural biology, including experimental techniques and deep learning-enabled high-precision structure predictions, molecular dynamics methods that scale up to large biomolecular systems are required. Current…
We propose and study a system whose dynamics are governed by predictions of its future states. General formalism and concrete examples are presented. We find that the dynamical characteristics depend on both how to shape predictions as well…
Different notions of entropy play a fundamental role in the classical theory of dynamical systems. Unlike many other concepts used to analyze autonomous dynamics, both measure-theoretic and topological entropy can be extended quite…
Accurate physical modeling with 3D-printing techniques could lead to new approaches to study structure and dynamics of biological systems complementing computational methods. Computational biology has become an important part of research…
Particles on Demand formulation of kinetic theory [B. Dorschner, F. B\"{o}sch and I. V. Karlin, {\it Phys. Rev. Lett.} {\bf 121}, 130602 (2018)] is used to simulate a variety of compressible flows with strong discontinuities in density,…
The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular…
For constrained system which has several independent first integrals, we give a new stabilization method which named adjustment-stabilization method. It can stabilize all known constants of motion for a given dynamical system very well…
Particle suspensions are ubiquitous in our daily life, but are not well understood due to their complexity. During the last twenty years, various simulation methods have been developed in order to model these systems. Due to varying…
We revise fundamental concepts in the dynamics of open quantum systems in the light of modern developments in the field. Our aim is to present a unified approach to the quantum evolution of open systems that incorporates the concepts and…
Structure and dynamics of real nanosystems emerge from the unreduced solution of the underlying interaction problem. It has the property of dynamic multivaluedness giving genuine dynamic randomness and complexity (physics/9806002,…
We introduce a new discretization of a mixed formulation of the incompressible Stokes equations that includes symmetric viscous stresses. The method is built upon a mass conserving mixed formulation that we recently studied. The improvement…
This article covers thermodynamic, dynamic, and kinetic models that are suitable for the analysis of wetting, adsorption, and related interfacial phenomena in colloidal and multiphase systems. Particular emphasis is made on describing…