EDITORIAL
Published on 20 Mar 2020
Editorial: Application of Optimization Algorithms in Chemistry
doi 10.3389/fchem.2020.00198
- 2,507 views
- 1 citation
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- Application of Optimization Algorithms in Chemistry
Application of Optimization Algorithms in Chemistry
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Articles
ORIGINAL RESEARCH
Published on 28 Jan 2020
A Combined Systematic-Stochastic Algorithm for the Conformational Search in Flexible Acyclic Molecules
doi 10.3389/fchem.2020.00016
- 2,776 views
- 28 citations
REVIEW
Published on 26 Nov 2019
Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns
doi 10.3389/fchem.2019.00809
- 53,103 views
- 131 citations
ORIGINAL RESEARCH
Published on 05 Nov 2019
A New Genetic Algorithm Approach Applied to Atomic and Molecular Cluster Studies
doi 10.3389/fchem.2019.00707
- 13,576 views
- 22 citations
ORIGINAL RESEARCH
Published on 27 Sep 2019
A Global Optimizer for Nanoclusters
doi 10.3389/fchem.2019.00644
- 7,017 views
- 39 citations
ORIGINAL RESEARCH
Published on 12 Sep 2019
Hydrated Sodium Ion Clusters [Na+(H2O)n (n = 1–6)]: An ab initio Study on Structures and Non-covalent Interaction
![Hydrated Sodium Ion Clusters [Na+(H2O)n (n = 1–6)]: An ab initio Study on Structures and Non-covalent Interaction](https://www.frontiersin.org/files/myhome article library/468925/468925_Thumb_400.jpg)
doi 10.3389/fchem.2019.00624
- 17,672 views
- 29 citations
ORIGINAL RESEARCH
Published on 16 Aug 2019
The Structure of Adamantane Clusters: Atomistic vs. Coarse-Grained Predictions From Global Optimization
doi 10.3389/fchem.2019.00573
- 3,101 views
- 4 citations
ORIGINAL RESEARCH
Published on 14 Aug 2019
Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations
doi 10.3389/fchem.2019.00576
- 2,304 views
- 7 citations
REVIEW
Published on 07 Aug 2019
Augmenting Basin-Hopping With Techniques From Unsupervised Machine Learning: Applications in Spectroscopy and Ion Mobility
doi 10.3389/fchem.2019.00519
- 4,431 views
- 21 citations
ORIGINAL RESEARCH
Published on 12 Jul 2019
Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, Cn (n = 3–6, 10)
doi 10.3389/fchem.2019.00485
- 27,410 views
- 39 citations
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Frontiers in Chemistry
- Theoretical and Computational Chemistry
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