Gustavo G. Rondina

Revised Basin-Hopping Monte Carlo Algorithm for Structure Optimization of Clusters and Nanoparticles

Gustavo G. Rondina, Juarez L. F. Da Silva · Journal of Chemical Information and Modeling · 2013 · 133 citations

Engineering, Nanocluster, Structure Optimization +20

The Role of Charge States in the Atomic Structure of Cu_<i>n</i> and Pt_<i>n</i> (<i>n</i> = 2–14 atoms) Clusters: A DFT Investigation

Anderson S. Chaves, Gustavo G. Rondina, Maurício J. Piotrowski et al. · The Journal of Physical Chemistry A · 2014 · 122 citations

Engineering, Computational Chemistry, Chemistry +19

Structural formation of binary PtCu clusters: A density functional theory investigation

Anderson S. Chaves, Gustavo G. Rondina, Maurício J. Piotrowski et al. · Computational Materials Science · 2014 · 47 citations · Full text

Materials Science, Cluster Science, Engineering +9

Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences

Gustavo G. Rondina, Michael C. Böhm, Florian Müller‐Plathe · Journal of Chemical Theory and Computation · 2020 · 40 citations

Engineering, Mechanical Engineering, Soft Matter +21

A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems

Douglas G De Souza, Henrique Musseli Cezar, Gustavo G. Rondina et al. · Journal of Physics Condensed Matter · 2016 · 16 citations · Full text

Engineering, Nanocluster, Computational Chemistry +21