1 citations · 1 across the 1 of their papers we have counts for
8 papers
Structure Prediction and Bonding Analysis of BAg Clusters Featuring Double-Ring Motifs
Peter Ludwig RodrÃguez-Kessler
The structural stability, electronic structure, and bonding characteristics of the silver-doped boron cluster B18Ag2 were investigated using density functional theory (DFT) combine…
Charge, Bonding, and Optical Properties of the BCa Cluster: An Alkaline-Earth Dimer Stabilized by a Single Boron Ring
Peter Ludwig RodrÃguez-Kessler
The charge, bonding, and optical properties of the calcium-doped boron cluster BCa have been systematically investigated using density functional theory calculations. Exten…
Structural, Bonding, and Optical Properties of BCa Clusters: Double-Ring Forms
P. L. RodrÃguez-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 RodrÃguez-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 RodrÃguez-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. RodrÃguez-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…