We apply conformal solution theory and extend to mixtures a recently derived equation of state for glass-forming liquids. The equation of state is based on the statistical properties of the multidimensional potential energy surface as a function of a macroscopic system’s degrees of freedom (energy landscape), and allows the calculation of an ideal glass transition locus, along which the configu...

Fundamental relationships between the thermodynamics and kinetics of protein folding were investigated using chain models of natural proteins with diverse folding rates by extensive comparisons between the distribution of conformations in thermodynamic equilibrium and the distribution of conformations sampled along folding trajectories. Consistent with theory and single-molecule experiment, dur...

This paper gives a review of our recent work on the quantum Frenkel-Kontorova model. Using the squeezed state theory and the quantum Monte Carlo method, we have studied the effects of quantum fluctuations on the Aubry transition and the behavior of the ground state wave function. We found that quantum fluctuations renormalize the sinusoidal standard map to a sawtooth map. Although quantum fluct...

We develop a cluster dynamical mean-field theory of the periodic Anderson model in three dimensions, taking a cluster of two sites as a basic reference frame. The mean-field theory displays the basic features of the Doniach phase diagram: a paramagnetic Fermi liquid state, an antiferromagnetic state, and a transition between them. In contrast with spin-density wave theories, the transition is a...

The coil-bridge transition in a self-avoiding lattice chain with one end fixed at height H above the attractive planar surface is investigated by theory and Monte Carlo simulation. We focus on the details of the first-order phase transition between the coil state at large height H ⩾ Htr and a bridge state at H ⩽ Htr, where Htr corresponds to the coil-bridge transition point. The equilibrium pro...

As an alternative to the batch means (BM) method in the stopping rule for symbolic dynamic filtering, this short paper presents an analytical procedure to estimate the variance parameter and to obtain a lower bound on the length of symbol blocks for constructing probabilistic finite state automata (PFSA). If the modulus of the second largest eigenvalue of the PFSA’s state transition matrix is r...

The OQ(λ) algorithm benefits from an extension of eligibility traces introduced as opposition trace. This new technique is a combination of the idea of opposition and eligibility traces to deal with large state space problems in reinforcement learning applications. In our previous works the comparison of the results of OQ(λ) and conventional Watkins’ Q(λ) reflected a remarkable increase in perf...

We are interested in the problem of transition reduction of nondeterministic automata. We present some results on the reduction of the automata recognizing the language L(En) denoted by the regular expression En = (1 + ε) · (2 + ε) · (3 + ε) · · · (n+ ε). These results can be used in the general case of the transition reduction problem.

A collection of articles related to roaming, mostly in formaldehyde, H2CO. Quoted sections are set in italics. There are four prinary groups that have published theories tackling roaming. Harding and Klippenstein take a rather standard transition state theory perspective, but subdivide configuration using “centrifugal” and “entropic” barriers rather than energetic ones alone [23]. Jordan and Ka...