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Numerical simulation of extreme wave runup during storm events in Tramandaí Beach, Rio Grande do Sul, Brazil
(2015-12-31)
We present a high resolution analysis of the interaction of irregular waves with natural and urban structures leading to extreme wave runup. Horizontal runup data, instantaneous flooding maps, and wave propagation beyond ...
Non-Markovian models of the growth of a polymer chain
(2015-12-31)
Using simple exactly solvable models, we show that event-dependent time delays may lead to significant non-Poisson effects in the statistics of polymer chain growth. The results are confirmed by stochastic simulation of ...
Relative frequencies of constrained events in stochastic processes: An analytical approach
(2015-12-31)
The stochastic simulation algorithm (SSA) and the corresponding Monte Carlo (MC) method are among the most common approaches for studying stochastic processes. They relies on knowledge of interevent probability density ...
Multiple-time-stepping generalized hybrid Monte Carlo methods
(2014-12-31)
Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2-4], molecular dynamics and hybrid Monte Carlo, can be further improved ...
Constant pressure hybrid Monte Carlo simulations in GROMACS
(2014-12-31)
Adaptation and implementation of the Generalized Shadow Hybrid Monte Carlo (GSHMC) method for molecular simulation at constant pressure in the NPT ensemble are discussed. The resulting method, termed NPT-GSHMC, combines ...
Computer software for understanding resonances and resonance-related phenomena in chemical reactions
(2014-12-31)
In numerical modelling of chemical reactions one calculates the scattering matrix for the required values of energy and angular momentum. Having done so, one still faces the non-trivial task of extracting detailed information ...
Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections
(2014-12-31)
We present a detailed description of a FORTRAN code for evaluation of the resonance contribution a Regge trajectory makes to the integral state-to-state cross section (ICS) within a specified range of energies. The ...
Impact of competitive processes on controlled radical polymerization
(2014-12-31)
The kinetics of radical polymerization have been systematically studied for nearly a century and in general are well understood. However, in light of recent developments in controlled radical polymerization many kinetic ...
'Superluminal paradox' in wave packet propagation and its quantum mechanical resolution
(2013-12-31)
We analyse in detail the reshaping mechanism leading to apparently 'superluminal' advancement of a wave packet traversing a classically forbidden region. In the coordinate representation, a barrier is shown to act as an ...
Interference mechanism of seemingly superluminal tunneling
(2013-12-31)
Apparently "superluminal" transmission, e.g., in quantum tunneling and its variants, occurs via a subtle interference mechanism which allows reconstruction of the entire spatial shape of a wave packet from its front tail. ...