Optimal Alignment of Structures for Finite and Periodic Systems-Reference-Cited by-同舟云学术

Optimal Alignment of Structures for Finite and Periodic Systems

Published:2017-09-14 Issue:10 Volume:13 Page:4914-4931
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Griffiths Matthew¹^ORCID,Niblett Samuel P.¹,Wales David J.¹

Affiliation:

1. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00543

Reference69 articles.

1. 3D-QSAR in Drug Design - A Review

2. Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

3. Huo, H.; Rupp, M.Unified Representation for Machine Learning of Molecules and Crystals.arXiv preprint arXiv:1704.06439 2017, (accessed 2017-08-22).

4. Discovering the building blocks of atomic systems using machine learning: application to grain boundaries

5. Gaussian approximation potentials: A brief tutorial introduction

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