In multiscale models for polymeric fluids, the evolution of the polymer chain is usually modeled using an entropic force, computed from the free energy associated with the end-to-end vector. We will present results which aim at justifying under which circumstances such a dynamics is indeed close to the original dynamics based on the full-atom chain. References: F. Legoll and T. Lelièvre, Effective dynamics using conditional expectations, Nonlinearity, 23, 2131-2163, (2010). F. Legoll, T. Lelièvre and S. Olla, Pathwise estimates for an effective dynamics, Stochastic Processes and their Applications, 127, 2841-2863, (2017). F. Legoll, T. Lelièvre and U. Sharma, Effective dynamics for non-reversible stochastic differential equations: a q...
Thesis (Ph.D.)--University of Washington, 2018Stochastic dynamical systems, as a rapidly growing are...
This paper provides a mathematically rigorous foundation for self-consistent mean field theory of th...
Stochastic models are considered as a numerical tool for simulating the dynamic behavior of polymeri...
In multiscale models for polymeric fluids, the evolution of the polymer chain is usually modeled us...
International audienceCoarse-graining is central to reducing dimensionality in molecular dynamics, a...
This thesis looks at two different problems in the field of partially ordered systems - modelling bi...
To test the effectiveness of stochastic single-chain models in describing the dynamics of entangled ...
In this work we present a few general and some specific aspects of effective dynamics of macroscopic...
long-chain molecules in a fluid modelled as ball-and-spring systems, subject to random forcing K bon...
International audienceThe question of coarse-graining is ubiquitous in molecular dynamics. In this a...
Three different approaches have been reported in the last few years for identifying topological cons...
International audienceThe objective of molecular dynamics computations is to infer macroscopic prope...
Linear polymers are represented as chains of hopping reptons and their motion is described as a stoc...
Any first course on polymer physics teaches that the dynamics of a tagged monomer of a polymer is an...
Generalization of the Rouse model without any use of the postulates concerning the Gaussian distribu...
Thesis (Ph.D.)--University of Washington, 2018Stochastic dynamical systems, as a rapidly growing are...
This paper provides a mathematically rigorous foundation for self-consistent mean field theory of th...
Stochastic models are considered as a numerical tool for simulating the dynamic behavior of polymeri...
In multiscale models for polymeric fluids, the evolution of the polymer chain is usually modeled us...
International audienceCoarse-graining is central to reducing dimensionality in molecular dynamics, a...
This thesis looks at two different problems in the field of partially ordered systems - modelling bi...
To test the effectiveness of stochastic single-chain models in describing the dynamics of entangled ...
In this work we present a few general and some specific aspects of effective dynamics of macroscopic...
long-chain molecules in a fluid modelled as ball-and-spring systems, subject to random forcing K bon...
International audienceThe question of coarse-graining is ubiquitous in molecular dynamics. In this a...
Three different approaches have been reported in the last few years for identifying topological cons...
International audienceThe objective of molecular dynamics computations is to infer macroscopic prope...
Linear polymers are represented as chains of hopping reptons and their motion is described as a stoc...
Any first course on polymer physics teaches that the dynamics of a tagged monomer of a polymer is an...
Generalization of the Rouse model without any use of the postulates concerning the Gaussian distribu...
Thesis (Ph.D.)--University of Washington, 2018Stochastic dynamical systems, as a rapidly growing are...
This paper provides a mathematically rigorous foundation for self-consistent mean field theory of th...
Stochastic models are considered as a numerical tool for simulating the dynamic behavior of polymeri...