Feature vector clustering molecular pairs in computer simulations-Reference-Cited by-同舟云学术

Feature vector clustering molecular pairs in computer simulations

Published:2019-07-16 Issue:29 Volume:40 Page:2539-2549
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Pei Han‐Wen¹²^ORCID,Laaksonen Aatto¹³⁴

Affiliation:

1. Department of Materials and Environmental Chemistry, Arrhenius LaboratoryStockholm University SE‐106 91 Stockholm Sweden

2. System and Component Design, Department of Machine DesignKTH Royal Institute of Technology SE‐100 44 Stockholm Sweden

3. State Key Laboratory of Materials‐Oriented and Chemical EngineeringNanjing Tech University Nanjing 210009 China

4. Centre of Advanced Research in Bionanoconjugates and BiopolymersPetru Poni Institute of Macromolecular Chemistry Aleea Grigore Ghica‐Voda 41A, 700487 Lasi Romania

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26028

Reference55 articles.

1. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2. Finding Density Functionals with Machine Learning

3. Machine learning for many-body physics: The case of the Anderson impurity model

4. Modeling electronic quantum transport with machine learning

5. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

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