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References from Global minimum search for transition metal nanoclusters with an embedded atom method potential in a DRL framework. Local targets link to admitted publications; unresolved targets remain external evidence.
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Metal alloys-structured electrocatalysts: Metal–metal interactions, coordination microenvironments, and structural property–reactivity relationships
10.1002/adma.202301836 · 2023 · External reference
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Emerging atomically precise metal nanoclusters and ultrasmall nanoparticles for efficient electrochemical energy catalysis: Synthesis strategies and surface/interface engineering
10.1007/s41918-024-00217-w · 2024 · External reference
Global minima and structural properties of Au Fe nanoalloys from a Mexican enhanced genetic algorithm-based density functional theory
10.1016/j.cplett.2021.138675 · 2021 · External reference
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
10.1039/b305686d · 2003 · External reference
Clustering-based adaptive crossover and mutation probabilities for genetic algorithms
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Theoretical study of Cu–Au nanoalloy clusters using a genetic algorithm
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Aluminum clusters graphene supported a DFT-based genetic algorithm study
10.1016/j.comptc.2025.115094 · 2025 · External reference
The DFT-genetic algorithm approach for global optimization of subnanometer bimetallic clusters
10.1016/b978-0-08-102232-0.00004-x · 2018 · External reference
Assessing the efficiency of first-principles basin-hopping sampling
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Structural and electronic properties of tungsten nanoclusters by DFT and basin-hopping calculations
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TGMin: A global-minimum structure search program based on a constrained basin-hopping algorithm
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Revised basin-hopping Monte Carlo algorithm for structure optimization of clusters and nanoparticles
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Machine-learning driven global optimization of surface adsorbate geometries
10.1038/s41524-023-01065-w · 2023 · External reference
Machine learning-driven biomaterials evolution
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Recent advances in machine learning-assisted multiscale design of energy materials
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Machine learning for materials design and discovery
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Global optimization of atomic structure enhanced by machine learning
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Accelerating the prediction of stable materials with machine learning
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Ensemble-average representation of Pt clusters in conditions of catalysis accessed through GPU accelerated deep neural network fitting global optimization
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Cluster-MLP: An active learning genetic algorithm framework for accelerated discovery of global minimum configurations of pure and alloyed nanoclusters
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Exploring nanocluster potential energy surfaces via deep reinforcement learning: Strategies for global minimum search
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External reference
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Energetic, electronic, and thermal effects on structural properties of Au–Ag nanoalloys
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Atomic cluster expansion for accurate and transferable interatomic potentials
10.1103/physrevb.99.014104 · 2019 · External reference
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Semiempirical, quantum mechanical calculation of hydrogen embrittlement in metals
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Predicting the shapes of Au55 and Au147: Force fields vs density-functional theory
10.1063/5.0285359 · 2025 · External reference
Nanocluster structure deduced from AC-STEM images coupled to theoretical modelling
10.17586/2220-8054-2017-8-6-723-731 · 2017 · External reference
Study of melting phenomenon of a palladium nanocluster using molecular dynamics simulations
10.1007/978-981-96-0828-7_10 · 2025 · External reference
Reliability of two embedded atom models for the description of Ag@Au nanoalloys
10.1063/1.5107495 · 2019 · External reference
Dual PPO–DRL searches with empirical potentials for global-minimum in Ag–Pd and Ag–Cu nanoalloys
10.1016/j.surfin.2026.110424 · 2026 · External reference
Investigating surface composition of Ni-Mo alloys: A hybrid Monte Carlo/molecular dynamics approach
10.1016/j.ssc.2025.115841 · 2025 · External reference
AI-accelerated search for global minimum configurations of Pt-Ni nanoclusters using embedded-atom method interatomic potential
10.1007/s11051-026-06698-8 · 2026 · External reference
Fast and efficient prediction of the most stable nanoclusters using deep reinforcement learning: A case study on Ag13 (Ih) and Au7Ag6 (Ih)
10.1007/s00339-025-08822-2 · 2025 · External reference
Deep reinforcement learning unveils ternary nanocluster configurations: A case study on Ag6Pd5Cu4
10.1063/5.0268140 · 2025 · External reference
Deep reinforcement learning for AgPd-based multimetallic nanoclusters: Accelerating global minimum discovery in high-entropy alloy systems
10.1063/5.0291364 · 2025 · External reference
PPO-based deepcluster agent: Efficient determination of global minima structures in Ag–Cu nanoalloys by deep reinforcement learning
10.1007/s00339-026-09681-1 · 2026 · External reference
Markov decision processes
2013 · External reference
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
10.1063/1.3553717 · 2011 · External reference
Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers
10.1103/physrevb.69.144113 · 2004 · External reference
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2004 · External reference
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