English
Related papers

Related papers: Molecular dynamics at an energy-level crossing

200 papers

Survival analysis concerns the study of timeline data where the event of interest may remain unobserved (i.e., censored). Studies commonly record more than one type of event, but conventional survival techniques focus on a single event…

Machine Learning · Computer Science 2023-03-01 Hylke C. Donker , Harry J. M. Groen

The pattern of isentropes in the vicinity of a first-order phase transition is proposed as a key for a sub-classification. While the confinement--deconfinement transition, conjectured to set in beyond a critical end point in the QCD phase…

High Energy Physics - Phenomenology · Physics 2016-05-25 Falk Wunderlich , Roman Yaresko , Burkhard Kampfer

We consider a run-and-tumble particle on a half-line with an absorbing target at the origin. The particle has an internal velocity state that switches between two opposite values at Poisson-distributed times. The position of the particle…

Statistical Mechanics · Physics 2025-06-19 Pascal Grange , Linglong Yuan

A model multilevel molecule described by two sets of rotational internal energy levels of different parity and degenerate ground states, coupled by a constant interaction, is considered, by assuming that the random collisions in a gas of…

Quantum Physics · Physics 2013-05-31 Filippo Giraldi , Francesco Petruccione

The building of minimal self-reproducing systems with a physical embodiment (generically called protocells) is a great challenge, with implications for both theory and applied sciences. Although the classical view of a living protocell…

Cell Behavior · Quantitative Biology 2009-09-29 Harold Fellermann , Ricard V. Solé

Dynamic facilitation theory assumes short-ranged dynamic constraints to be the essential feature of supercooled liquids and draws much of its conclusions from the study of kinetically constrained models. While deceptively simple, these…

Materials Science · Physics 2012-06-12 Thomas Speck , David Chandler

A potential model to describe the total cross section of nuclear fusion reactions at low energies is proposed. It is shown that within an approach with a simple, single barrier potential a satisfactory description of data is hindered, while…

Nuclear Theory · Physics 2010-12-17 V. M. Shilov

Many researchers have investigated first hitting times as models for survival data. First hitting times arise naturally in many types of stochastic processes, ranging from Wiener processes to Markov chains. In a survival context, the state…

Methodology · Statistics 2009-09-29 Mei-Ling Ting Lee , G. A. Whitmore

An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…

Soft Condensed Matter · Physics 2012-03-27 Thomas B. Schroeder , Srikanth Sastry , Jeppe C. Dyre , Sharon C. Glotzer

We study the asymptotic behaviour of the survival probability of a multi-type branching processes in random environment. The class of processes we consider corresponds, in the one-dimensional situation, to the intermediately subcritical…

Probability · Mathematics 2019-04-01 Vladimir Vatutin , Elena Dyakonova

The time evolution of the thermally activated decay rates is considered. This evolution is of particular importance for the recent nanoscale experiments discussed in the literature, where the potential barrier is relatively low (or the…

Statistical Mechanics · Physics 2021-04-21 Maria Chushnyakova , Igor Gontchar , Natalya Khmyrova

In this work a phenomenological stochastic differential equation is proposed to model the time evolution of the radius of a pre-critical molecular cluster during nucleation (the classical order parameter). Such a stochastic differential…

Chemical Physics · Physics 2013-10-25 Miguel A. Durán-Olivencia , Fermín Otálora

In one-dimensional systems, the dynamics of a Brownian particle are governed by the force derived from a potential as well as by diffusion properties. In this work, we obtain the first-passage-time statistics of a Brownian particle driven…

Statistical Mechanics · Physics 2015-11-25 Eugenio Urdapilleta

We analyze, both analytically and numerically, the time-dependence of the return probability in closed systems of interacting particles. Main attention is paid to the interplay between two regimes, one of which is characterized by the…

Disordered Systems and Neural Networks · Physics 2009-11-11 F. M. Izrailev , A. Castaneda-Mendoza

Critical transitions occur in a wide variety of applications including mathematical biology, climate change, human physiology and economics. Therefore it is highly desirable to find early-warning signs. We show that it is possible to…

Dynamical Systems · Mathematics 2015-03-17 Christian Kuehn

Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…

Computational Physics · Physics 2016-08-23 Alain C. Vaucher , Markus Reiher

In this paper we study a two-dimensional directed self-avoiding walk model of a random copolymer in a random emulsion. The copolymer is a random concatenation of monomers of two types, $A$ and $B$, each occurring with density 1/2. The…

Probability · Mathematics 2009-11-13 Frank den Hollander , Nicolas Pétrélis

The paper addresses Brownian motion in the logarithmic potential with time-dependent strength, $U(x,t) = g(t) \log(x)$, subject to the absorbing boundary at the origin of coordinates. Such model can represent kinetics of…

Statistical Mechanics · Physics 2015-09-29 Artem Ryabov , Ekaterina Berestneva , Viktor Holubec

The survival probability and the first-passage-time statistics are important quantities in different fields. The Wiener process is the simplest stochastic processwith continuous variables, and important results can be explicitly found from…

Statistical Mechanics · Physics 2011-02-15 Eugenio Urdapilleta

We study the large deviations of the time-integrated current for a self-propelled particle moving within a confined environment. The dynamics is modeled as a semi-Markovian process, where the transitions between a \textit{normal running…

Statistical Mechanics · Physics 2026-05-26 Shabnam Sohrabi , Farhad H. Jafarpour