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Global optimization

https://doi.org/10.1002/wcms.70
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster size
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Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster size
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The Use of Quantum Molecular Calculations to Guide a Genetic Algorithm: A Way to Search for New Chemistry
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A Conformational Analysis Method for Understanding the Energy Landscapes of Clusters
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Advantages of a Redefinition of Variable‐Space in Direct‐Space Structure Solution from Powder X‐Ray Diffraction Data
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Glycosylation Enhances Peptide Hydrophobic Collapse by Impairing Solvation
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Automatic parameterization of force field by systematic search and genetic algorithms
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A dynamic lattice searching method for fast optimization of Lennard–Jones clusters
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Ab initio crystal structure prediction—I. Rigid molecules
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Towards protein folding with evolutionary techniques
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Deterministic global optimization of molecular structures using interval analysis
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Ab initio protein fold prediction using evolutionary algorithms: Influence of design and control parameters on performance
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An ant algorithm for the conformational analysis of flexible molecules
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Composition‐induced structural transitions in mixed Lennard‐Jones clusters: Global reparametrization and optimization
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Applications of Evolutionary Computation in Chemistry
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Energy landscapes: topographies, interparticle forces and dynamics, and how they are related
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Global geometry optimization of small silicon clusters at the level of density functional theory
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A comparison of complete global optimization solvers
inferredcites →https://doi.org/10.1007/s10589-007-9026-zopenalex-snapshot
An experimental analysis of a population based approach for global optimization
inferredcites →https://doi.org/10.1007/s10589-007-9127-8openalex-snapshot
Solving molecular distance geometry problems by global optimization algorithms
inferredcites →https://doi.org/10.1007/s10589-008-9194-5openalex-snapshot
Dissimilarity measures for population-based global optimization algorithms
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A new class of test functions for global optimization
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Double variable neighbourhood search with smoothing for the molecular distance geometry problem
inferredcites →https://doi.org/10.1007/s10898-008-9332-8openalex-snapshot
A review of recent advances in global optimization
inferredcites →https://doi.org/10.1016/0009-2614(94)01450-aopenalex-snapshot
Parameterization of NDDO wavefunctions using genetic algorithms. An evolutionary approach to parameterizing potential energy surfaces and direct dynamics calculations for organic reactions
inferredcites →https://doi.org/10.1016/j.chemphys.2010.06.013openalex-snapshot
Molecular designing of novel ternary copolymers of donor–acceptor polymers using genetic algorithm
inferredcites →https://doi.org/10.1016/j.commatsci.2004.07.014openalex-snapshot
Statistical evaluation of the big bang search algorithm
inferredcites →https://doi.org/10.1016/j.compchemeng.2003.11.003openalex-snapshot
Retrospective on optimization
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Part II. Future perspective on optimization
inferredcites →https://doi.org/10.1016/j.cplett.2009.06.026openalex-snapshot
Improved minima-hopping. TIP4P water clusters, ( H 2 O ) n with n ⩽ 37
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Challenges of continuous global optimization in molecular structure prediction
inferredcites →https://doi.org/10.1016/j.mencom.2009.09.001openalex-snapshot
Molecular docking: theoretical background, practical applications and perspectives
inferredcites →https://doi.org/10.1016/j.susc.2004.09.041openalex-snapshot
Finding the reconstructions of semiconductor surfaces via a genetic algorithm
inferredcites →https://doi.org/10.1016/s0378-3812(01)00780-4openalex-snapshot
Global optimization for clusters of flexible molecules—solvent–solute interaction energy calculations
inferredcites →https://doi.org/10.1017/cbo9780511721724openalex-snapshot
Energy Landscapes
inferredcites →https://doi.org/10.1017/s0962492904000194openalex-snapshot
Complete search in continuous global optimization and constraint satisfaction
inferredcites →https://doi.org/10.1021/ci600206kopenalex-snapshot
Clever and Efficient Method for Searching Optimal Geometries of Lennard-Jones Clusters
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Novel Method for Geometry Optimization of Molecular Clusters: Application to Benzene Clusters
inferredcites →https://doi.org/10.1021/ci800238wopenalex-snapshot
Development of an Efficient Geometry Optimization Method for Water Clusters
inferredcites →https://doi.org/10.1021/j100141a013openalex-snapshot
Global geometry optimization of clusters using genetic algorithms
inferredcites →https://doi.org/10.1021/jp0663816openalex-snapshot
Novel Lattice-Searching Method for Modeling the Optimal Strain-Free Close-Packed Isomers of Clusters
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H·(H2O)n Clusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA)
inferredcites →https://doi.org/10.1021/jp9028084openalex-snapshot
Tabu Search Based Strategies for Conformational Search
inferredcites →https://doi.org/10.1021/jp904925jopenalex-snapshot
Putative Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 161 ≤ N ≤ 240
inferredcites →https://doi.org/10.1021/jp970984nopenalex-snapshot
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
inferredcites →https://doi.org/10.1023/a:1013857218127openalex-snapshot
A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances
inferredcites →https://doi.org/10.1038/33369openalex-snapshot
Structures of medium-sized silicon clusters
inferredcites →https://doi.org/10.1039/b305686dopenalex-snapshot
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
inferredcites →https://doi.org/10.1039/b412673dopenalex-snapshot
Global and local optimization of auxiliary basis sets for RI-MP2 calculations
inferredcites →https://doi.org/10.1039/b609138eopenalex-snapshot
Combined optimization using cultural and differential evolution: application to crystal structure solution from powder diffraction data
inferredcites →https://doi.org/10.1039/b618760aopenalex-snapshot
Femtosecond quantum control of molecular dynamics in the condensed phase
inferredcites →https://doi.org/10.1039/b719351copenalex-snapshot
From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape
inferredcites →https://doi.org/10.1039/b818062hopenalex-snapshot
Energy landscapes for shells assembled from pentagonal and hexagonal pyramids
inferredcites →https://doi.org/10.1039/b912501aopenalex-snapshot
Theoretical study of Cu38−nAun clusters using a combined empirical potential–density functional approach
inferredcites →https://doi.org/10.1039/b914552dopenalex-snapshot
The detailed balance limit of photochemical energy conversion
inferredcites →https://doi.org/10.1039/b916069hopenalex-snapshot
Modelling nano-clusters and nucleation
inferredcites →https://doi.org/10.1039/c004055jopenalex-snapshot
Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals
inferredcites →https://doi.org/10.1039/c004059bopenalex-snapshot
Appearance of bulk-like motifs in Si, Ge, and Al clusters
inferredcites →https://doi.org/10.1039/c0cp00068jopenalex-snapshot
On the problem of cluster structure diversity and the value of data mining
inferredcites →https://doi.org/10.1039/c0cp00373eopenalex-snapshot
Computation of nodal surfaces in fixed-node diffusion Monte Carlo calculations using a genetic algorithm
inferredcites →https://doi.org/10.1039/c0cp00523aopenalex-snapshot
Characterization of large vacancy clusters in diamond from a generational algorithm using tight binding density functional theory
inferredcites →https://doi.org/10.1039/c0cp01065kopenalex-snapshot
Design of optimally switchable molecules by genetic algorithms
inferredcites →https://doi.org/10.1063/1.1540099openalex-snapshot
Free energy landscapes of model peptides and proteins
inferredcites →https://doi.org/10.1063/1.1724816openalex-snapshot
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
inferredcites →https://doi.org/10.1063/1.1783276openalex-snapshot
Structure of the NaxClx+1− (x=1–4) clusters via ab initio genetic algorithm and photoelectron spectroscopy
inferredcites →https://doi.org/10.1063/1.1899149openalex-snapshot
Energy landscape paving simulations of the trp-cage protein
inferredcites →https://doi.org/10.1063/1.2773721openalex-snapshot
Preferential attachment during the evolution of a potential energy landscape
inferredcites →https://doi.org/10.1063/1.3097197openalex-snapshot
The performance of minima hopping and evolutionary algorithms for cluster structure prediction
inferredcites →https://doi.org/10.1063/1.3152121openalex-snapshot
Funnel hopping: Searching the cluster potential energy surface over the funnels
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A comparison of new methods for generating energy-minimizing configurations of patchy particles
inferredcites →https://doi.org/10.1063/1.3239474openalex-snapshot
A theoretical study of water equilibria: The cluster distribution versus temperature and pressure for (H2O)n, n=1–60, and ice
inferredcites →https://doi.org/10.1063/1.3314223openalex-snapshot
Genetic algorithm optimization of laser pulses for molecular quantum state excitation
inferredcites →https://doi.org/10.1063/1.3455708openalex-snapshot
Ab initio energy landscape of LiF clusters
inferredcites →https://doi.org/10.1063/1.463486openalex-snapshot
A global optimization approach for Lennard-Jones microclusters
inferredcites →https://doi.org/10.1063/1.468715openalex-snapshot
Application of genetic algorithm to the calculation of bound states and local density approximations
inferredcites →https://doi.org/10.1063/1.478652openalex-snapshot
Free energy calculations for peptides via deterministic global optimization
inferredcites →https://doi.org/10.1073/pnas.0913607107openalex-snapshot
Femtosecond quantum control of molecular bond formation
inferredcites →https://doi.org/10.1080/00268970601143317openalex-snapshot
Ab initiocrystal structure prediction. II. Flexible molecules
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OGOLEM: Global cluster structure optimisation for arbitrary mixtures of flexible molecules. A multiscaling, object-oriented approach
inferredcites →https://doi.org/10.1080/10426910802609094openalex-snapshot
Global Optimization of 2-Dimensional Nanoscale Structures: A Brief Review
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Genetic Algorithms, a Nature-Inspired Tool: Survey of Applications in Materials Science and Related Fields
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Genetic Algorithms, a Nature-Inspired Tool: A Survey of Applications in Materials Science and Related Fields: Part II
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Modelling the self-assembly of virus capsids
inferredcites →https://doi.org/10.1088/1367-2630/12/7/075008openalex-snapshot
Control of quantum phenomena: past, present and future
inferredcites →https://doi.org/10.1103/physreva.79.021401openalex-snapshot
Modified ant-colony-optimization algorithm as an alternative to genetic algorithms
inferredcites →https://doi.org/10.1103/physrevb.59.2292openalex-snapshot
Structural transitions and global minima of sodium chloride clusters
inferredcites →https://doi.org/10.1103/physrevb.70.045423openalex-snapshot
Composition-induced structural transitions in mixed rare-gas clusters
inferredcites →https://doi.org/10.1103/physrevb.77.115415openalex-snapshot
Calculation of binary and ternary metallic immiscible clusters with icosahedral structures
inferredcites →https://doi.org/10.1103/physreve.78.026708openalex-snapshot
Global optimization method for cluster structures
inferredcites →https://doi.org/10.1103/physreve.79.046702openalex-snapshot
Threshold-selecting strategy for best possible ground state detection with genetic algorithms
inferredcites →https://doi.org/10.1103/physrevlett.75.288openalex-snapshot
Molecular Geometry Optimization with a Genetic Algorithm
inferredcites →https://doi.org/10.1109/tevc.2005.846356openalex-snapshot
Evolutionary Optimization in Uncertain Environments—A Survey
inferredcites →https://doi.org/10.1126/science.285.5432.1368openalex-snapshot
Global Optimization of Clusters, Crystals, and Biomolecules
inferredcites →https://doi.org/10.1137/s0036144594278060openalex-snapshot
Molecular Modeling of Proteins and Mathematical Prediction of Protein Structure
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Density-functional global optimization of (La2O3)n clusters
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A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo
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Globally optimal catalytic fields for a Diels–Alder reaction
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2309083openalex-snapshot
Accelerated global optimization of metal cluster structures via the deep neural network complemented with transfer learning and genetic algorithm
inferred← citeshttps://doi.org/10.1063/5.0116018openalex-snapshot
Determination of spectroscopic constants from rovibrational configuration interaction calculations
inferred← citeshttps://doi.org/10.1063/5.0189374openalex-snapshot
Restricted global optimization for QAOA
inferred← citeshttps://doi.org/10.1063/5.0288910openalex-snapshot
RANGE: A robust adaptive nature-inspired global explorer of potential energy surfaces
inferred← citeshttps://doi.org/10.1063/5.0344056openalex-snapshot
Global minimum search for transition metal nanoclusters with an embedded atom method potential in a DRL framework
inferred← citeshttps://doi.org/10.1080/00268976.2013.826392openalex-snapshot
Force field-based conformational searches: efficiency and performance for peptide receptor complexes
inferred← citeshttps://doi.org/10.1080/00268976.2024.2306881openalex-snapshot
A tensor network view of multilayer multiconfiguration time-dependent Hartree methods
inferred← citeshttps://doi.org/10.1080/02670836.2020.1839206openalex-snapshot
Advances in neural networks and potential for their application to steel metallurgy
inferred← citeshttps://doi.org/10.1080/10426914.2012.746707openalex-snapshot
Genetic Algorithms, a Nature-Inspired Tool: A Survey of Applications in Materials Science and Related Fields: Part II
inferred← citeshttps://doi.org/10.1080/23746149.2018.1516514openalex-snapshot
First principles global optimization of metal clusters and nanoalloys
inferred← citeshttps://doi.org/10.1103/physrevmaterials.9.033801openalex-snapshot
REMatch plus SOS: Machine-learning-accelerated structure prediction for supported metal nanoclusters
inferred← citeshttps://doi.org/10.1103/physrevx.4.031034openalex-snapshot
Superposition Enhanced Nested Sampling
inferred← citeshttps://doi.org/10.1155/2012/648386openalex-snapshot
A First-Principles-Based Potential for the Description of Alkaline Earth Metals
inferred← citeshttps://doi.org/10.1177/1045389x231199855openalex-snapshot
Investigation of single and multicell honeycomb reinforced shape memory polymer composites: Shape optimization and experimental characterization
inferred← citeshttps://doi.org/10.1186/2193-1801-1-8openalex-snapshot
The hybrid block iterative algorithm for solving the system of equilibrium problems and variational inequality problems
inferred← citeshttps://doi.org/10.1186/s12859-015-0451-1openalex-snapshot
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints
inferred← citeshttps://doi.org/10.1186/s12865-015-0107-yopenalex-snapshot
Comparative analysis of anti-viral transcriptomics reveals novel effects of influenza immune antagonism
inferred← citeshttps://doi.org/10.17863/cam.15578openalex-snapshot
Superposition Enhanced Nested Sampling
inferred← citeshttps://doi.org/10.3390/inorganics5040064openalex-snapshot
Improved Cluster Structure Optimization: Hybridizing Evolutionary Algorithms with Local Heat Pulses
inferred← citeshttps://doi.org/10.3390/liquids3010011openalex-snapshot
Investigation of the Impact of High Concentration LiTFSI Electrolytes on Silicon Anodes with Reactive Force Field Simulations
inferred← citeshttps://doi.org/10.3791/50476openalex-snapshot
Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
inferred← citeshttps://doi.org/10.4236/am.2012.330215openalex-snapshot
Empirical Review of Standard Benchmark Functions Using Evolutionary Global Optimization
inferred← citeshttps://doi.org/10.70675/3ef51d50ze9f6z40c9za8cezb2a5d5a2bc50openalex-snapshot
Molecular design for catalytic activities of helical chiral oligoureas
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