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A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently…

Chaotic Dynamics · Physics 2018-04-10 L. Lerman , V. Rom-Kedar

We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…

Chemical Physics · Physics 2020-04-10 Pablo M. Piaggi , Michele Parrinello

Biochemical reactions involving three or more reactants, called higher-molecular reactions, play an important role in theoretical systems and synthetic biology. In particular, such reactions underpin a variety of important bio-dynamical…

Molecular Networks · Quantitative Biology 2021-01-05 Tomislav Plesa

Synthetic active colloidal systems are being studied extensively because of the diverse and often unusual phenomena these nonequilibrium systems manifest, and their potential applications in fields ranging from biology to material science.…

Soft Condensed Matter · Physics 2023-02-16 Jiang-Xing Chen , Jia-Qi Hu , Raymond Kapral

The design of specified nonlinear mechanical responses into a structure or material is a highly sought after capability, which would have a significant impact in areas such as wave tailoring in metamaterials, impact mitigation, soft…

Materials Science · Physics 2023-12-01 Brianna MacNider , Ian Frankel , Kai Qian , Alan Pozos , Aketzali Santos , H. Alicia Kim , Nicholas Boechler

We consider design issues for toxicology studies when we have a continuous response and the true mean response is only known to be a member of a class of nested models. This class of non-linear models was proposed by toxicologists who were…

Statistics Theory · Mathematics 2010-11-29 Holger Dette , Andrey Pepelyshev , Piter Shpilev , Weng Kee Wong

Self-assembly is a phenomenon observed in nature at all scales where autonomous entities build complex structures, without external influences nor centralised master plan. Modelling such entities and programming correct interactions among…

Computational Complexity · Computer Science 2013-09-26 German Terrazas , Hector Zenil , Natalio Krasnogor

Physical analogs have shown considerable promise for understanding the behavior of complex adaptive systems, including macroeconomics, biological systems, social networks, and electric power markets. Many of today's most challenging…

Adaptation and Self-Organizing Systems · Physics 2007-05-23 David P. Chassin , Joel Malard , Christian Posse

Because of consuming energy to drive their motion, systems of active colloids are intrinsically out of equilibrium. In the past decade, a variety of intriguing dynamic patterns have been observed in systems of active colloids, and they…

Soft Condensed Matter · Physics 2020-04-16 Zhan Ma , Mingcheng Yang , Ran Ni

We introduce a set of local procedures that are capable of controlling distributed systems that exhibit complex dynamical behavior. These local controllers need only perturb local parameters and use local information about the state of the…

chao-dyn · Physics 2008-02-03 Michael Youssefmir , Bernardo Huberman

A series of simulations aimed at elucidating the self-assembly dynamics of spherical virus capsids is described. This little-understood phenomenon is a fascinating example of the complex processes that occur in the simplest of organisms.…

Soft Condensed Matter · Physics 2015-05-19 D. C. Rapaport

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

Scaling analysis exploiting timescale separation has been one of the most important techniques in the quantitative analysis of nonlinear dynamical systems in mathematical and theoretical biology. In the case of enzyme catalyzed reactions,…

Quantitative Methods · Quantitative Biology 2023-03-21 Justin Eilertsen , Wylie Stroberg , Santiago Schnell

Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example of a biopolymer that possesses characteristics quite distinct from standard synthetic polymers that are derived from…

Soft Condensed Matter · Physics 2013-01-10 Shengfeng Cheng , Ankush Aggarwal , Mark J. Stevens

The dynamics of stochastic reaction networks within cells are inevitably modulated by factors considered extrinsic to the network such as for instance the fluctuations in ribsome copy numbers for a gene regulatory network. While several…

Quantitative Methods · Quantitative Biology 2015-06-19 Christoph Zechner , Heinz Koeppl

We present a general approach to isolate chemical reaction mechanism as an independently controllable variable across chemically distinct systems. Modern approaches to reduce the computational expense of molecular dynamics simulations often…

Synthetic biology is a recent area of biological engineering, whose aim is to provide cells with novel functionalities. A number of important results regarding the development of control circuits in synthetic biology have been achieved…

Systems and Control · Electrical Eng. & Systems 2024-11-11 Antón Pardo , Sandra Díaz Seoane , Dorin A. Ionescu , Antonis Papachristodoulou , Alejandro F. Villaverde

Reversibility, weak reversibility and deficiency, detailed and complex balancing are generally not "encoded" in the kinetic differential equations but they are realization properties that may imply local or even global asymptotic stability…

Molecular Networks · Quantitative Biology 2011-05-11 Gabor Szederkenyi , Katalin M. Hangos

Colloids play an important role in fundamental science as well as in nature and technology. They have had a strong impact on the fundamental understanding of statistical physics. For example, colloids have helped to obtain a better…

Soft Condensed Matter · Physics 2025-02-27 Debasish Saha , Sonja Tarama , Hartmut Löwen , Stefan U. Egelhaaf

Model-based process simulation can be used to derive designs and operating conditions of chemical processes that optimally balance multiple objectives, such as quality, costs, or environmental impacts. This work focuses on identifying…

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