We propose a set of Langevin equations of motion together with a reaction rule for the study of binary reactions. Our scheme is designed to address this problem for arbitrary friction ° and temperature T. It easily accommodates the inclusion of a substrate potential, and it lends itself to straightforward numerical integration. We test this approach on di®usion-limited (° ! 1) as well as ballistic (° = 0) A+A ! P reactions for which there are extensive exact and approximate theoretical results as well as extensive Monte Carlo results. We reproduce the known results using our integration scheme, and also present new results for the ballistic reactions.Peer Reviewe
A full implementation of the Boltzmann-Langevin equation for fermionic systems is introduced in a tr...
We consider the problem of building a continuous stochastic model, i.e., a Langevin or Fokker-Planck...
ABSTRACT: When simulating molecular systems using deterministic equations of motion (e.g., Newtonian...
We propose a set of Langevin equations of motion together with a reaction rule for the study of bina...
Abstract. We propose a set of Langevin equations of motion together with a reaction rule for the stu...
Using numerical methods we study the annihilation reactions A + A → 0 and A + B → 0 in one and two d...
Using the Monte Carlo simulation method for bosonic reaction-diffusion systems introduced recently ...
A framework recently developed for the extraction of a dynamic reaction coordinate to mediate reacti...
International audienceFor reaction-diffusion processes with at most bimolecular reactants, we derive...
A framework to calculate the rate constants of condensed phase chemical reactions of manybody system...
Abstract: The reaction process A + B → ∅ is modelled for ballistic reactants on an infinite line wi...
We introduce a hybrid projection scheme that combines linear Mori projection and conditional Zwanzig...
International audienceWe introduce a new probabilistic approach to quantify convergence to equilibri...
Computer simulation of complex nonlinear and disordered phenomena from materials science is rapidly ...
We introduce a hybrid projection scheme that combines linear Mori projection and conditional Zwanzig...
A full implementation of the Boltzmann-Langevin equation for fermionic systems is introduced in a tr...
We consider the problem of building a continuous stochastic model, i.e., a Langevin or Fokker-Planck...
ABSTRACT: When simulating molecular systems using deterministic equations of motion (e.g., Newtonian...
We propose a set of Langevin equations of motion together with a reaction rule for the study of bina...
Abstract. We propose a set of Langevin equations of motion together with a reaction rule for the stu...
Using numerical methods we study the annihilation reactions A + A → 0 and A + B → 0 in one and two d...
Using the Monte Carlo simulation method for bosonic reaction-diffusion systems introduced recently ...
A framework recently developed for the extraction of a dynamic reaction coordinate to mediate reacti...
International audienceFor reaction-diffusion processes with at most bimolecular reactants, we derive...
A framework to calculate the rate constants of condensed phase chemical reactions of manybody system...
Abstract: The reaction process A + B → ∅ is modelled for ballistic reactants on an infinite line wi...
We introduce a hybrid projection scheme that combines linear Mori projection and conditional Zwanzig...
International audienceWe introduce a new probabilistic approach to quantify convergence to equilibri...
Computer simulation of complex nonlinear and disordered phenomena from materials science is rapidly ...
We introduce a hybrid projection scheme that combines linear Mori projection and conditional Zwanzig...
A full implementation of the Boltzmann-Langevin equation for fermionic systems is introduced in a tr...
We consider the problem of building a continuous stochastic model, i.e., a Langevin or Fokker-Planck...
ABSTRACT: When simulating molecular systems using deterministic equations of motion (e.g., Newtonian...