Elasticity-based polymer sorting in active fluids: A Brownian dynamics study
While the dynamics of polymer chains in equilibrium media is well understood by now, the
polymer dynamics in active non-equilibrium environments can be very different. Here we …
polymer dynamics in active non-equilibrium environments can be very different. Here we …
Fluctuations in the ensemble of reaction pathways
G Mazzola, S Beccara, P Faccioli… - The Journal of chemical …, 2011 - pubs.aip.org
The dominant reaction pathway is a rigorous framework to microscopically compute the most
probable trajectories, in nonequilibrium transitions. In the low-temperature regime, such …
probable trajectories, in nonequilibrium transitions. In the low-temperature regime, such …
Transition state theory approach to polymer escape from a one dimensional potential well
H Mökkönen, T Ikonen, T Ala-Nissila… - The Journal of Chemical …, 2015 - pubs.aip.org
The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is
calculated using transition state theory (TST) and the results compared with direct dynamical …
calculated using transition state theory (TST) and the results compared with direct dynamical …
Predicting the unobserved: A statistical mechanics framework for non-equilibrium material response with quantified uncertainty
Can far-from-equilibrium material response under arbitrary loading be inferred from
equilibrium data and vice versa? Can the effect of element transmutation on mechanical …
equilibrium data and vice versa? Can the effect of element transmutation on mechanical …
Diffusion in periodic potentials with path integral hyperdynamics
We consider the diffusion of Brownian particles in one-dimensional periodic potentials as a
test bench for the recently proposed stochastic path integral hyperdynamics (PIHD) scheme …
test bench for the recently proposed stochastic path integral hyperdynamics (PIHD) scheme …
Effects of static and temporally fluctuating tensions on semiflexible polymer looping
J Shin, W Sung - The Journal of Chemical Physics, 2012 - pubs.aip.org
Biopolymer looping is a dynamic process that occurs ubiquitously in cells for gene
regulation, protein folding, etc. In cellular environments, biopolymers are often subject to …
regulation, protein folding, etc. In cellular environments, biopolymers are often subject to …
Polymer escape from a confining potential
H Mökkönen, T Ikonen, H Jonsson… - The Journal of Chemical …, 2014 - pubs.aip.org
The rate of escape of polymers from a two-dimensionally confining potential well has been
evaluated using self-avoiding as well as ideal chain representations of varying length, up to …
evaluated using self-avoiding as well as ideal chain representations of varying length, up to …
Atomistic simulation methods for long-time dynamics in materials for nuclear energy systems
Many important processes in materials systems are intrinsically atomistic in nature but
involve time scales that span many orders of magnitude, thus exceeding what can be …
involve time scales that span many orders of magnitude, thus exceeding what can be …
Escape Rates of Externally Confined Polymers
H Mökkönen - 2016 - opinvisindi.is
A polymer escaping from a confining external potential represents a generic description of
long macromolecules crossing an energy barrier. This type of barrier crossing problems are …
long macromolecules crossing an energy barrier. This type of barrier crossing problems are …