Related papers: Advanced quasi-steady state approximation for chem…
Statistical mechanics for states with complex eigenvalues, which are described by Gel'fand triplet and represent unstable states like resonances, are discussed on the basis of principle of equal ${\it a priori}$ probability. A new entropy…
Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach…
Postulates of the quantum atomistic solid-state theory (QUASST) have been presented. QUASST is an extension of the crystal-field theory and is applicable to compounds containing open-shell 3d, 4f and 5f atoms. QUASST points out the…
This paper represents the full version of a paper published earlier in Physica A [246 (1997), 275]. The present paper includes argumentation, proofs and details omitted in the shortened version. The papers are a further development of the…
Quantum state smoothing is a technique for assigning a valid quantum state to a partially observed dynamical system, using measurement records both prior and posterior to an estimation time. We show that the technique is greatly simplified…
The quantum-classical correspondence for dynamics of the nonlinear classically chaotic systems is analysed. The problem of quantum chaos consists of two parts: the quasiclassical quantisation of the chaotic systems and attempts to…
The predictive ability of stochastic chemical reactions is currently limited by the lack of closed form solutions to the governing chemical master equation. To overcome this limitation, this paper proposes a computational method capable of…
Our recent interest is focused on establishing the necessary and sufficient conditions that guarantee a long-term stable evolution of both natural and artificial systems. Two necessary conditions, called global and local boundedness, are…
Polynomial dynamical systems (DSs) can model a wide range of physical processes. A special subset of these DSs that can model chemical reactions under mass-action kinetics is called chemical dynamical systems (CDSs). A fundamental problem,…
The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…
The trajectories of the pilot-wave formulation of quantum mechanics and hence its empirical predictions may be recovered via the dynamics of a density function on the configuration space of a system, without reference to a physical wave…
Understanding multiphase flows is vital to addressing some of our most pressing human needs: clean air, clean water and the sustainable production of food and energy. This article focuses on a subset of multiphase flows called…
The description of quantum field systems with meta-stable vacuum is motivated by studies of many physical problems (the decay of disoriented chiral condensate, the resonant decay of CP-odd meta-stable states, self-consistent model of QGP…
We present a detailed account of the theoretical progress and the computational strategy that led to the non-perturbative determination of the QCD Equation of State at temperatures up to the electroweak scale reported in [Phys. Rev. Lett.…
Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…
Recent work on the dynamics of a crystal surface [T.Frisch and A.Verga, Phys. Rev. Lett. 96, 166104 (2006)] has focused the attention on the conserved Kuramoto-Sivashinsky (CKS) equation: \partial_t u = -\partial_{xx}(u+u_{xx}+u_x^2), which…
We explore the formation and relaxation of so-called quasi-stationary states (QSS) for particle distributions in three dimensions interacting via an attractive radial pair potential $V(r \rightarrow \infty) \sim 1/r^\gamma$ with $\gamma >…
New algorithm for quantum state estimation based on the maximum likelihood estimation is proposed. Existing techniques for state reconstruction based on the inversion of measured data are shown to be overestimated since they do not…
The present paper reports our attempt to search for a new universal framework in nonequilibrium physics. We propose a thermodynamic formalism that is expected to apply to a large class of nonequilibrium steady states including a heat…
In the framework of the concept of time correlation functions, we develop a self-consistent relaxation theory of the transverse collective particle dynamics in liquids. The theory agrees with well-known results in both the short-wave (free…