A discrete ‘social force’ cellular automata model is applied to simulate the occupant evacuation in densely occupied buildings. The relationship between the state transition of pedestrian flow and the exit structure, including the exit width d and the exit separation f, are investigated. Discussions on the appropriate placement of exits and the relationship between the optimal value of f and bu...

Reaction mechanism among indoline-2,3-dione, pyrrolidine-2-carboxylic acid and (Z)-2-(1-(2-hydroxynaphthalen-1-yl)ethylidene)hydroxycarboxamide to form 1’-((((aminooxy)carbonyl)amino)methyl)-2’-(1-hydroxynaphthalen-2-yl)-2’-methyl-1’,2’,5’,6’,7’,7a’-hexahydrospiro[indoline-3,3’-pyrrolo[1,2-a]imidazole-2-one was investigated using density functional theory (DFT) at B3LYP basis theory. The three-...

We discuss the production of ultracold molecules in their electronic ground state by photoassociation employing electronically excited states with ion-pair character and strong spin-orbit interaction. A short photoassociation laser pulse drives a nonresonant three-photon transition for alkali-metal atoms colliding in their lowest triplet state. The excited-state wave packet is transferred to th...

For our purposes, a Markov chain is a (finite or countable) collection of states S and transition probabilities pij, where i, j ∈ S. We write P = [pij] for the matrix of transition probabilities. Elements of S can be interpreted as various possible states of whatever system we are interested in studying, and pij represents the probability that the system is in state j at time n+ 1, if it is sta...

We consider generalized linear stochastic dynamical systems with secondorder state transition matrices. The entries of the matrix are assumed to be either independent and exponentially distributed or equal to zero. We give an overview of new results on evaluation of asymptotic growth rate of the system state vector, which is called the Lyapunov exponent of the system.

A stochastic Markov chain model for metastatic progression is developed for primary lung cancer based on a network construction of metastatic sites with dynamics modeled as an ensemble of random walkers on the network. We calculate a transition matrix, with entries (transition probabilities) interpreted as random variables, and use it to construct a circular bi-directional network of primary an...

Within the Fock-space multi-reference coupled cluster framework, we have evaluated the electronic transition dipole moments, which determine absorption intensities. These depend on matrix elements between two different wave functions (e.g., ground state to the excited state). We present two different ways, to calculate these transition moments. In the first method, we construct the ground and e...

The molecular mechanism of a reaction in solution is reflected in its transition-state ensemble and transition paths. We use a Bayesian formula relating the equilibrium and transition-path ensembles to identify transition states, rank reaction coordinates, and estimate rate coefficients. We also introduce a variational procedure to optimize reaction coordinates. The theory is illustrated with a...

this paper is concerned with the problem of designing discrete-time control systems with closed-loop eigenvalues in a prescribed region of stability. first, we obtain a state feedback matrix which assigns all the eigenvalues to zero, and then by elementary similarity operations we find a state feedback which assigns the eigenvalues inside a circle with center   and radius. this new algorithm ca...

Heyman gives an interesting factorization of I ? P , where P is the transition probability matrix for an ergodic Markov Chain. We show that this factoriza-tion is valid if and only if the Markov chain is recurrent. Moreover, we provide a decomposition result which includes all ergodic, null recurrent as well as the transient Markov chains as special cases. Such a decomposition has been shown to...