3 papers
cond-mat.mtrl-sci2025
Growth driven phase transitions in Zinc Oxide nanoparticles through machine-learning assisted simulations
Quentin Gromoff, Magali Benoit, Jacek Goniakowski +2
This study investigates the formation of zinc oxide (ZnO) nanoparticles, a material of significant technological interest with complex structural properties, through atom-by-atom d…
physics.chem-ph2024
Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A study employing Multifidelity Machine Learning
Dongyu Lyu, Matthias Holzenkamp, Vivin Vinod +5
Natural light-harvesting antenna complexes efficiently capture solar energy using chlorophyll, i.e., magnesium porphyrin pigments, embedded in a protein matrix. Inspired by this na…
cond-mat.stat-mech2024
Competing nucleation pathways in nanocrystal formation
Carlos R. Salazar, Akshay Krishna Ammothum Kandy, Jean Furstoss +3
Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one's ability to truly provide an ato…