68 citations · 208 across the 16 of their papers we have counts for
16 papers
A Spatio-Temporal Generalisation of Green Kubo
E. R. Smith, D. Dini, D. M. Heyes
The Green-Kubo (GK) method which is used to obtain the shear viscosity of a model liquid in equilibrium molecular dynamics (MD) often requires long simulation times to obtain accep…
Mechanical and thermodynamic routes to the liquid-liquid interfacial tension and mixing free energy by molecular dynamics
Rei Ogawa, Hiroki Kusudo, Takeshi Omori +4
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibilit…
Nanoscale Surfactant Transport: Bridging Molecular and Continuum Models
Muhammad Rizwanur Rahman, James P. Ewen, Li Shen +3
Surfactant transport is central to a diverse range of natural phenomena, and for many practical applications in physics and engineering. Surprisingly, this process remains relative…
Measuring line tension: thermodynamic integration during detachment of a molecular dynamics droplet
Minori Shintaku, Haruki Oga, Hiroki Kusudo +3
The contact line (CL) is where solid, liquid and vapor phases meet, and Young's equation describes the macroscopic force balance of the interfacial tensions between these three pha…
Multiscale Simulation of Fluids: Coupling Molecular and Continuum
Edward R. Smith, Panagiotis E. Theodorakis
Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However…
N-body simulation of binary star mass transfer using NVDIA GPUs
Shaukat Goderya, Edward Smith, Baylor Fain +3
Binary star systems are of particular interest to astronomers because they can be used as astrophysical laboratories to study the properties and processes of stars. Between 70% to…