4 citations · 8 across the 6 of their papers we have counts for
8 papers
Structural, Bonding, and Optical Properties of BCa Clusters: Double-Ring Forms
P. L. Rodríguez-Kessler
The structural and electronic properties of the doubly calcium-doped boron cluster BCa have been systematically investigated using density functional theory calculations…
Revisiting and Accelerating the Basin Hopping Algorithm for Lennard-Jones Clusters: Adaptive and Parallel Implementation in Python
Oliver Carmona, Peter Ludwig Rodríguez-Kessler, Sebastián Salazar-Colores +1
We present an adaptive and parallel implementation of the Basin Hopping (BH) algorithm for the global optimization of atomic clusters interacting via the Lennard-Jones (LJ) potenti…
Size-Dependent Structural Motifs in AgMo (n = 2-13) Clusters: From Planar to Icosahedral Architectures
Samantha Ortega-Flores, Peter Ludwig Rodríguez-Kessler
We present a comprehensive density functional theory (DFT) study of Mo-doped silver clusters AgMo (-14), focusing on their structural, electronic, and bonding properties.…
Structural and Bonding Insights into BCu Clusters: A DFT Study
P. L. Rodríguez-Kessler
In this study, we employ density functional theory (DFT) to investigate the structural and electronic properties BCu clusters -- boron-based frameworks doped with three c…
Inverse Sandwich Geometry and Stability of BY Clusters: A DFT Study
Peter Ludwig Rodríguez-Kessler
In this work, we use density functional theory (DFT) to investigate the structural and electronic properties of BY clusters -- boron frameworks doped with two yttrium atoms…
Stability and reactivity of double icosahedron AgM (M=Ni, Cu, Zn) clusters
Peter Ludwig Rodríguez-Kessler
Herein, the structure and stability of double icosahedron AgM (M = Ni, Cu, Zn) clusters are investigated using density functional theory (DFT) computations. The results…