95 citations · 108 across the 2 of their papers we have counts for
4 papers
Machine Learning Potential for Hexagonal Boron Nitride Applied to Thermally and Mechanically Induced Rippling
Fabian L. Thiemann, Patrick Rowe, Erich A. Müller +1
We introduce an interatomic potential for hexagonal boron nitride (hBN) based on the Gaussian approximation potential (GAP) machine learning methodology. The potential is based on…
Spreading of aqueous droplets with common and superspreading surfactants. A molecular dynamics study
Panagiotis E. Theodorakis, Edward R. Smith, Erich A. Müller
The surfactant-driven spreading of droplets is an essential process in many applications ranging from coating flow technology to enhanced oil recovery. Despite the significant adva…
A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes
Åsmund Ervik, Morten Olsen Lysgaard, Carmelo Herdes +4
(Abbreviated) In this paper we report on the development of a multiscale method for simulating complex liquid-liquid systems such as water in contact with oil containing asphaltene…
Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension
Jose G. Sampayo, Alexandr Malijevsky, Erich A. Muller +2
Test area deformations are used to analyse vapour-liquid interfaces of Lennard-Jones particles by molecular dynamics simulation. For planar vapour-liquid interfaces the change in f…