Computing generalized Langevin equations and generalized Fokker-Planck equations.
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Hierarchical Multiscale Modeling of Macromolecules and their AssembliesData-driven parameterization of the generalized Langevin equation.Is protein folding sub-diffusive?Multiscale simulation of microbe structure and dynamics.Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism.Microscopic derivation of particle-based coarse-grained dynamics: Exact expression for memory function.Multiscale macromolecular simulation: role of evolving ensembles.Mori-Zwanzig theory for dissipative forces in coarse-grained dynamics in the Markov limit.Parametric reduced models for the nonlinear Schrödinger equation.On the importance of shear dissipative forces in coarse-grained dynamics of molecular liquids.Multiscale dynamics of macromolecules using normal mode Langevin.Application of the projection operator formalism to non-hamiltonian dynamics.Microscopic derivation of particle-based coarse-grained dynamics.Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts.Construction of non-Markovian coarse-grained models employing the Mori-Zwanzig formalism and iterative Boltzmann inversion.Uncertainty quantification for generalized Langevin dynamics.The derivation and approximation of coarse-grained dynamics from Langevin dynamics.Effective dynamics along given reaction coordinates, and reaction rate theory.Two algorithms to compute projected correlation functions in molecular dynamics simulations.Why and how do systems react in thermally fluctuating environments?Convolutionless Nakajima-Zwanzig equations for stochastic analysis in nonlinear dynamical systems.Multi-scale coarse-graining of non-conservative interactions in molecular liquids.A priori estimation of memory effects in reduced-order models of nonlinear systems using the Mori-Zwanzig formalism.Fep1d: a script for the analysis of reaction coordinates.Renormalized Mori-Zwanzig-reduced models for systems without scale separation.
P2860
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P2860
Computing generalized Langevin equations and generalized Fokker-Planck equations.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 19 June 2009
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@en
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@nl
type
label
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@en
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@nl
prefLabel
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@en
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@nl
P2093
P2860
P356
P1476
Computing generalized Langevin equations and generalized Fokker-Planck equations.
@en
P2093
Amirali Kia
Eric Darve
Jose Solomon
P2860
P304
10884-10889
P356
10.1073/PNAS.0902633106
P407
P577
2009-06-19T00:00:00Z