10 papers
Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
Hari Haran Sudhakar, Alessandra Serva, Rocio Semino
The Hamiltonian-Adaptive Resolution Simulation (H-AdResS) method allows to combine atomistic and particle-based coarse-grained models in a single simulation box, which makes it ver…
A hybrid Volume of Fluid Phase-Field method for Direct Numerical Simulations of soluble surfactant-laden interfacial flows
Ilies Haouche, Benjamin Reichert, Michaël Baudoin +1
We present a hybrid Volume-of-Fluid (VoF) Phase-Field method for general soluble surfactant-laden interfacial flows. The scheme retains the VoF method for interface tracking and mo…
Machine Learning and Molecular Simulations Reveal Mechanisms of ZIFs Polymorph Selection
Emilio Méndez, Rocio Semino
Zn(imidazolate) metal-organic frameworks (MOFs) exhibit a remarkable degree of polymorphism. Because of their promising industrial applications, many research groups have inves…
Gate-tuneable single-photon emitters in WSe2 monolayer created via AFM nanoindentation on rigid SiO2/Si substrates
Ajit Kumar Dash, Sanket Jugade, Manavendra Pratap Singh +12
Single-photon emitters (SPEs) hosted by two-dimensional (2D) semiconducting materials are envisioned for next-generation quantum applications. However, SPE creation in 2D semicondu…
TopoSPAM: Topology grounded Simulation Platform for morphogenesis and biological Active Matter
Abhinav Singh, Abhijeet Krishna, Aboutaleb Amiri +11
We present a topology grounded, multiscale simulation platform for morphogenesis and biological active matter. Morphogenesis and biological active matter represent keystone problem…
Characterizing planetary systems with SPIRou: Detection of a sub-Neptune in a 6-day period orbit around the M dwarf Gl 410
A. Carmona, X. Delfosse, M. Ould-Elhkim +42
The search for exoplanets around nearby M dwarfs represents a crucial milestone in the census of planetary systems in the vicinity of our Solar System. Since 2018 our team is carry…