相关论文: A Much better replacement of the Michaelis-Menten …
We develop an analytical diffusion-equation-type approximation scheme for the one-dimensional coagulation reaction A+A->A with partial reaction probability on particle encounters which are otherwise hard-core. The new approximation…
Transition states and minimum energy paths are essential to understand and predict chemical reactivity. Double-ended methods represent a standard approach for their determination. We introduce a new double-ended method that optimizes…
We consider a semi-discrete finite element approximation for a system consisting of the evolution of a planar curve evolving by forced curve shortening flow inside a given bounded domain $\Omega \subset \mathbb{R}^2$, such that the curve…
We consider a finite element approximation for a system consisting of the evolution of a curve evolving by forced curve shortening flow coupled to a reaction-diffusion equation on the evolving curve. The curve evolves inside a given domain…
The dynamics of the C($^{3}$P) + O$_{2}$($^3\Sigma_{g}^{-}$) $\rightarrow$ CO($^{1}\Sigma^{+}$)+ O($^{1}$D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical…
We shall revisit the conventional adiabatic or Markov approximation, showing its intrinsic failure in describing the proper quantum-mechanical evolution of a generic subsystem interacting with its environment. In particular, we shall show…
In this paper, we want to clarify the Gibbs phenomenon when continuous and discontinuous finite elements are used to approximate discontinuous or nearly discontinuous PDE solutions from the approximation point of view. For a simple step…
We investigate the phase structure and the equation of state (EoS) for dense two-color QCD at low temperatures, $T = 40$ MeV ($32^4$ lattice) and $T = 80$ MeV ($16^4$ lattice). A rich phase structure below the pseudo-critical temperature…
Genetically identical cells under the same environmental conditions can show strong variations in protein copy numbers due to inherently stochastic events in individual cells. We here develop a theoretical framework to address how…
We study the kinetic theory of a weakly interacting quantum field. Assuming a state that is close to homogeneous and stationary, we derive a closed kinetic equation for the rate of change of the occupation numbers, perturbatively in the…
The recently introduced method of excess collisions (MEC) is modified to estimate diffusion-controlled reaction times inside systems of arbitrary size. The resulting MEC-E equations contain a set of empirical parameters, which have to be…
We try to improve the Thomas-Fermi model for the total energy and electron density of atoms and molecules by directly modifying the Euler equation for the electron density, which we argue is less affected by nonlocal corrections. Here we…
Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize…
A kinetic equation which combines the quasiparticle drift of Landau's equation with a dissipation governed by a nonlocal and noninstant scattering integral in the spirit of Snider's equation for gases is derived. Consequent balance…
General formulas are derived for the quasiparticle effective mass and the equation of state of the Fermi system with account of the interparticle attraction at long distances and repulsion at short distances. Calculations are carried out of…
The molecular motor protein kinesin plays a key role in fundamental cellular processes such as intracellular transport, mitotic spindle formation, and cytokinesis, with important implications for neurodegenerative and cancer disease…
Nonlinear differential equations exhibit rich phenomena in many fields but are notoriously challenging to solve. Recently, Liu et al. [1] demonstrated the first efficient quantum algorithm for dissipative quadratic differential equations…
The capabilities of a new approach towards the foundations of Statistical Mechanics are explored. The approach is genuine quantum in the sense that statistical behavior is a consequence of objective quantum uncertainties due to entanglement…
Quantum error correction (QEC) is a key concept in quantum computation as well as many areas of physics. There are fundamental tensions between continuous symmetries and QEC. One vital situation is unfolded by the Eastin--Knill theorem,…
Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement…