相关论文: The Quasi-Steady State Assumption in an Enzymatica…
This thesis presents studies performed on open quantum systems, that is, quantum systems interacting with their surrounding environment. Such systems are important not only in understanding the quantum-to-classical transition but also for…
We develop an intuitive geometric picture of quantum states, define a particular state distance, and derive a quantum speed limit (QSL) for open systems. Our QSL is attainable because any initial state can be driven to a final state by the…
The hydration free energy of a macromolecule is the central property of interest for understanding its distribution over conformations and its state of aggregation. Calculating the hydration free energy of a macromolecule in all-atom…
The dynamical convergence of a system to the thermal distribution, or Gibbs state, is a standard assumption across all of the physical sciences. The Gibbs state is determined just by temperature and the system's energies alone. But at…
We extend Araki's well-known results on the equivalence of the KMS condition and the variational principle for equilibrium states of quantum lattice systems with short-range interactions, to a large class of models possibly containing…
We present a theory of collisionless relaxation in systems with long-range interactions. Contrary to Lynden-Bell's theory of violent relaxation, which assumes global ergodicity and mixing, we show that quasi-stationary states (qSS) observed…
For a single enzyme or molecular motor operating in an aqueous solution of non-equilibrated solute concentrations, a thermodynamic description is developed on the level of an individual trajectory of transitions between states. The concept…
In the framework of the theory of open systems based on completely positive quantum dynamical semigroups, we give a description of the continuous-variable entanglement for a system consisting of two noninteracting modes embedded in a…
The minimal 3-state scheme of kinetic cooperativity of monomeric enzymes is subjected to detailed analysis. The rigorous criteria of positive cooperativity and its sigmoidal version are established in terms of the system parameters (rate…
According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system…
Structural estimation in economics often makes use of models formulated in terms of moment conditions. While these moment conditions are generally well-motivated, it is often unknown whether the moment restrictions hold exactly. We consider…
A common assumption in open quantum systems in general is that the noise induced by the environment, due to the continuous interaction between a quantum system and its environment, is responsible for the disappearance of quantum properties…
The paper is concerned with open quantum systems whose Heisenberg dynamics are described by quantum stochastic differential equations driven by external boson fields. The system-field coupling operators are assumed to be quadratic…
A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the…
We investigate the potential of a quantum Boltzmann equation without momentum conservation for description of strongly correlated electron systems out of equilibrium. In a spirit similar to dynamical mean field theory (DMFT), the momentum…
The quasi steady-state (QSS) model tries to reach a good compromise between accuracy and efficiency in long-term stability analysis. However, the QSS model is unable to provide correct approximations and stability assessment for the…
Multistationarity, underlies biochemical switching and cellular decision-making. We study how multistationarity in the sequential n-site phosphorylation-dephosphorylation cycle is affected when only some species are open, meaning allowed to…
The selection of an equilibrium state by maximising the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of…
The dynamics of a system, consisting of a particle initially in a Gaussian state interacting with a field mode, under the action of repeated measurements performed on the particle, is examined. It is shown that regardless of its initial…
The statistical thermodynamics of binary mixtures of polyatomic species was developed on a generalization in the spirit of the lattice-gas model and the quasi-chemical approximation (QCA). The new theoretical framework is obtained by…