Results 41 to 50 of about 447,849 (263)
Kinetic derivation of the Hessian geometric structure in chemical reaction networks
Physical Review Research, 2022 The theory of chemical kinetics forms the basis to describe the dynamics of chemical reaction networks. Owing to physical and thermodynamic constraints, the networks possess various structures, which can be utilized to characterize important properties ...
Tetsuya J. Kobayashi +3 more
doaj +1 more source
Structural reduction of chemical reaction networks based on topology
Physical Review Research, 2021 We develop a model-independent reduction method of chemical reaction systems based on the stoichiometry, which determines their network topology. A subnetwork can be eliminated systematically to give a reduced system with fewer degrees of freedom.
Yuji Hirono +3 more
doaj +1 more source
The Exploration of Chemical Reaction Networks [PDF]
Annual Review of Physical Chemistry, 2020 Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various algorithmic advances have shown that such structural screenings must and can be automated and routinely carried ...
Unsleber, Jan P., Reiher, Markus
openaire +3 more sources
Physical Review Research, 2020 In nonequilibrium chemical reaction systems, a fundamental relationship between unbalanced kinetic one-way fluxes and thermodynamic chemical driving forces is believed to exist. However, in fact, the formula for this fundamental relation, in general, and
Yongli Peng +3 more
doaj +1 more source
PLoS Computational Biology, 2022 Prior work on abiogenesis, the emergence of life from non-life, suggests that it requires chemical reaction networks that contain self-amplifying motifs, namely, autocatalytic cores.
Zhen Peng, Jeff Linderoth, David A Baum
doaj +1 more source
Information geometric inequalities of chemical thermodynamics
Physical Review Research, 2021 We study a connection between chemical thermodynamics and information geometry. We clarify a relation between the Gibbs free energy of an ideal dilute solution and an information geometric quantity called an f divergence.
Kohei Yoshimura, Sosuke Ito
doaj +1 more source
Determining Interconnections in Chemical Reaction Networks [PDF]
2007 American Control Conference, 2007 We present a methodology for robust determination of chemical reaction network interconnections. Given time series data that are collected from experiments and taking into account the measurement error, we minimize the 1-norm of the decision variables (reaction rates) keeping the data in close Euler-flt with a general model structure based on mass ...
Papachristodoulou, A, Recht, B, IEEE
openaire +2 more sources
Dissipation-driven selection of states in non-equilibrium chemical networks
Communications Chemistry, 2021 Recent works have highlighted the role of energy sources in driving nonequilibrium behaviours in chemical reaction networks. Here, the authors theoretically describe linear reaction networks with thermal gradients to highlight the basic rules governing ...
Daniel Maria Busiello +3 more
doaj +1 more source
Linear conjugacy of chemical reaction networks [PDF]
Journal of Mathematical Chemistry, 2011 26 ...
Johnston, Matthew D., Siegel, David
openaire +2 more sources
A network dynamics approach to chemical reaction networks [PDF]
, 2015 A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics governed by mass
Jayawardhana, Bayu +2 more
core +2 more sources