95 citations · 278 across the 8 of their papers we have counts for
10 papers
Water flow in single-wall nanotubes: Oxygen makes it slip, hydrogen makes it stick
Fabian L Thiemann, Christoph Schran, Patrick Rowe +2
Experimental measurements have reported ultra-fast and radius-dependent water transport in carbon nanotubes which are absent in boron nitride nanotubes. Despite considerable effort…
Defect-Dependent Corrugation in Graphene
Fabian L. Thiemann, Patrick Rowe, Andrea Zen +2
Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its electronic, mechanical, and chemical properties. Experimental techniques allow the manipulati…
Machine learning potentials for complex aqueous systems made simple
Christoph Schran, Fabian L. Thiemann, Patrick Rowe +3
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as soli…
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…