New Framework for Computing a General Local Self-Diffusion Coefficient Using Statistical Mechanics

Transport of a self-propelled tracer through a hairy cylindrical channel: interplay of stickiness and activity

(2022) Rajiblochan Sahoo et al.   Soft Matter

A simulation study on the subdiffusion of polymer chains in crowded environments containing nanoparticles

(2021) Rong-Xing Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

(2020) Seyed Hossein Jamali et al.   Journal of Chemical Theory and Computation

Hindered Diffusion near Fluid–Solid Interfaces: Comparison of Molecular Dynamics to Continuum Hydrodynamics

(2020) Chung Chi Chio et al.   LANGMUIR

Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far

(2020) Alper T. Celebi et al.   MOLECULAR SIMULATION

Single Particle Dynamics at the Liquid–Liquid Interface. Molecular Dynamics Simulation Study of the Water-CCl4 System

(2019) Balázs Fábián et al.   Journal of Physical Chemistry C

Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations

(2017) Romain Vermorel et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach

(2016) Luís Fernando Mercier Franco et al.   Journal of Chemical Theory and Computation

Structure and Mass Transport Characteristics at the Intrinsic Liquid–Vapor Interfaces of Alkanes

(2016) Hari Krishna Chilukoti et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis

(2016) Balázs Fábián et al.   Journal of Physical Chemistry C

Self-diffusion Coefficient and Structure of Binary n-Alkane Mixtures at the Liquid–Vapor Interfaces

(2015) Hari Krishna Chilukoti et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface

(2014) Carlos Braga et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalous diffusion models and their properties: non-stationarity, non-ergodicity, and ageing at the centenary of single particle tracking

(2014) Ralf Metzler et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Scaling Green-Kubo Relation and Application to Three Aging Systems

(2014) A. Dechant et al.   Physical Review X

Direct evaluation of the position dependent diffusion coefficient and persistence time from the equilibrium density profile in anisotropic fluids

(2013) Wilmer Olivares-Rivas et al.   JOURNAL OF CHEMICAL PHYSICS

Shear viscosity of inhomogeneous fluids

(2012) Hai Hoang et al.   JOURNAL OF CHEMICAL PHYSICS

A local dissipation theorem

(2012) Zahra Talaei et al.   JOURNAL OF CHEMICAL PHYSICS

Local viscosity of a fluid confined in a narrow pore

(2012) Hai Hoang et al.   PHYSICAL REVIEW E

Molecular dynamics and analytical Langevin equation approach for the self-diffusion constant of an anisotropic fluid

(2009) Pedro J. Colmenares et al.   PHYSICAL REVIEW E

Fluctuation Theorems

(2008) E.M. Sevick et al.   Annual Review of Physical Chemistry

On the fluctuation theorem for the dissipation function and its connection with response theory

(2008) Denis J. Evans et al.   JOURNAL OF CHEMICAL PHYSICS