108 citations · 158 across the 5 of their papers we have counts for
5 papers
Scalable Bayesian Optimization for High-Dimensional Coarse-Grained Model Parameterization
Carlos A. Martins Junior, Daniela A. Damasceno, Keat Yung Hue +3
Coarse-grained (CG) force field models are extensively utilised in material simulations due to their scalability. Traditionally, these models are parameterized using hybrid strateg…
Semi-empirical Quantum Optics for Mid-Infrared Molecular Nanophotonics
Johan F. Triana, Mauricio Arias, Jun Nishida +6
Nanoscale infrared (IR) resonators with sub-diffraction limited mode volumes and open geometries have emerged as new platforms for implementing cavity quantum electrodynamics (QED)…
J description of the honeycomb Mott insulator -RuCl
A. Koitzsch, C. Habenicht, E. Mueller +7
Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of -RuCl, in which the Ru ions are in a d…
Nano-spectroscopic imaging of intermolecular structure, coupling and dynamics
Benjamin Pollard, Eric A. Muller, Karsten Hinrichs +1
Molecular self-assembly, the function of biomembranes, and the performance of organic solar cells rely on molecular interactions on the nanoscale. The understanding and design of s…
On the Properties of Hydrogen Terminated Diamond as a Photocathode
Jonathan Rameau, John Smedley, Eric Muller +2
Electron emission from the negative electron affinity (NEA) surface of hydrogen terminated, boron doped diamond in the [100] orientation is investigated using angle resolved photoe…