NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for

NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems

Frontiers Determining the Adsorption Energetics of 2,3-Butanediol on RuO2(110): Coupling First-Principles Calculations With Global Optimizers

Monte Carlo-Simulated Annealing and Machine Learning-Based Funneled Approach for Finding the Global Minimum Structure of Molecular Clusters

Simulated PES spectra of the lowest energy LaSin⁻ (n = 6–20) clusters

Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules

Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning

Frontiers Determining the Adsorption Energetics of 2,3-Butanediol on RuO2(110): Coupling First-Principles Calculations With Global Optimizers

Two-step machine learning algorithm involving adaptive design (AD).