Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization-Reference-Cited by-同舟云学术

Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

Published:2016-11-16 Issue:12 Volume:12 Page:6213-6226
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhai Huanchen¹,Alexandrova Anastassia N.¹²

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States

2. California NanoSystems Institute, Los Angeles, California 90095, United States

Funder

Division of Chemistry

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00994

Reference61 articles.

1. Platinum and Non-Platinum Nanomaterials for the Molecular Oxygen Reduction Reaction

2. Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist?

3. Observable Electrochemical Oxidation of Carbon Promoted by Platinum Nanoparticles

4. Search for the Lin0/+1/-1 (n = 5−7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters

5. H·(H2O)n Clusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA)

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