Related papers: Amazing variational approach to chemical reactions

In his Comment on a recent paper by two of us Kominis claims that the recently proposed quantum measurement model for spin-selective reactions of radical pairs leads to ambiguous predictions in a simple case. Here we show that this claim is…

Counterfactual analysis is intuitively performed by humans on a daily basis eg. "What should I have done differently to get the loan approved?". Such counterfactual questions also steer the formulation of scientific hypotheses. More…

We study a micro and macroscopic model for chemical reactions with feedback between reactions and temperature of the solute. The first result concerns the quasipotential as the large-deviation rate of the microscopic invariant measure. The…

In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…

The theory of real relativistic fluids is in the rather unique situation that there is a natural relativistic extension of the nonrelativistic theory, but it is physically untenable. On the other hand, mounting evidence that matter created…

Chemistry is about chemical reactions. Chemistry is about electrons changing their configurations as atoms and molecules react. Chemistry studies reactions as if they occurred in ideal infinitely dilute solutions. But most reactions occur…

A variational Bayesian inference for measured wave intensity, such as X-ray intensity, is proposed in this paper. The data is popular to obtain information about unobservable features of an object, such as a material sample and the…

This paper summarizes the recent theoretical works on inelastic collisions and chemical reactions at cold and ultracold temperatures involving neutral or ionic systems of atoms and molecules. Tables of zero-temperature rate constants of…

Rare isotopes are most often studied through nuclear reactions. Nuclear reactions can be used to obtain detailed structure information but also in connection to astrophysics to determine specific capture rates. In order to extract the…

Structured chemical reaction information plays a vital role for chemists engaged in laboratory work and advanced endeavors such as computer-aided drug design. Despite the importance of extracting structured reactions from scientific…

Effective dynamics using conditional expectation was proposed in [F. Legoll and T. Leli\`evre, Nonlinearity, 2010] to approximate the essential dynamics of high-dimensional diffusion processes along a given reaction coordinate. The…

This paper has been withdrawn by the authors because the paper is largely revised and improved.

We will give convincing arguments to view transverse spin asymmetries in inclusive reactions, as very exciting observables, although there were considered as irrelevant for a long time. We look forward to new high energy data in the near…

We apply the variational approach to solitons in highly nonlocal nonlinear media in $D=1,2,3$ dimensions. We compare results obtained by the variational approach with those obtained in the accessible soliton approximation, by considering…

Odd-even effects, also known as "staggering" effects, are a common feature observed in the yield distributions of fragments produced in different types of nuclear reactions. We review old methods, and we propose new ones, for a quantitative…

Researchers are often challenged with assessing the impact of an intervention on an outcome of interest in situations where the intervention is non-randomised, the intervention is only applied to one or few units, the intervention is…

The best mathematical arguments against a realistic interpretation of quantum mechanics - that gives definite but partially unknown values to all observables - are analysed and shown to be based on reasoning that is not compelling. This…

This paper concerns applications of variational analysis to some local aspects of behavioral science modeling by developing an effective variational rationality approach to these and related issues. Our main attention is paid to local…

The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods…

In this letter, a theoretical method for the analysis of diffusive flux/current to limited scale self-affine random fractals is presented and compared with experimentally measured electrochemical current for such roughness. The theory…