29 citations · 54 across the 6 of their papers we have counts for
6 papers
Grain boundary evolution in nanoparticles
Manoj Settem, Pranav Kumar, Ajeet K. Srivastav
Grain boundary evolution is a key dynamical process that enables structural rearrangements in nanoparticles and drives them towards low energy configurations. Grain boundaries can…
Structural Chart of Copper-Silver Nanoalloys through machine learning
Manoj Settem, Emanuele Telari, Antonio Tinti +2
Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their…
Inherent structural descriptors via machine learning
Emanuele Telari, Antonio Tinti, Manoj Settem +10
Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simul…
Structural transformations in Cu, Ag, and Au metal nanoclusters
Manoj Settem, Cesare Roncaglia, Riccardo Ferrando +1
Finite-temperature structures of Cu, Ag, and Au metal nanoclusters are calculated in the entire temperature range from 0 K to melting using a computational methodology that we prop…
Charting nanocluster structures via convolutional neural networks
Emanuele Telari, Antonio Tinti, Manoj Settem +3
A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dat…
Tempering of Au nanoclusters: capturing the temperature-dependent competition among structural motifs
Manoj Settem, Riccardo Ferrando, Alberto Giacomello
A computational approach to determine the equilibrium structures of nanoclusters in the whole temperature range from 0 K to melting is developed. Our approach relies on Parallel Te…