NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems
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NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems
Monte Carlo-Simulated Annealing and Machine Learning-Based Funneled Approach for Finding the Global Minimum Structure of Molecular Clusters
Representation of the Deaven and Ho cut-and-splice crossover operation.
Frontiers Determining the Adsorption Energetics of 2,3-Butanediol on RuO2(110): Coupling First-Principles Calculations With Global Optimizers
NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems
Monte Carlo-Simulated Annealing and Machine Learning-Based Funneled Approach for Finding the Global Minimum Structure of Molecular Clusters
Catalysts, Free Full-Text
Scheme of the pool-GA concept. Several GA subprocesses work on the pool
First-Principles Predictions of Structure–Function Relationships of Graphene-Supported Platinum Nanoclusters
Dissociation energy (in eV) of LuSin (n = 3–10) with ZPVE corrections
Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility
Catalysts, Free Full-Text
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