Efficient Phase Diagram Sampling by Active Learning-Reference-Cited by-同舟云学术

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Efficient Phase Diagram Sampling by Active Learning

Published:2020-01-21 Issue:7 Volume:124 Page:1275-1284
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Dai Chengyu¹,Glotzer Sharon C.¹²³⁴^ORCID

Affiliation:

1. Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, United States

2. Biointerfaces Institute, University of Michigan, Ann Arbor, Michigan 48109, United States

3. Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States

4. Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.9b09202

Reference52 articles.

1. Digital Alchemy for Materials Design: Colloids and Beyond

2. Phase equilibria by simulation in the Gibbs ensemble

3. Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation

4. Novel Type of Phase Transition in a System of Self-Driven Particles

5. Athermal Phase Separation of Self-Propelled Particles with No Alignment

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1. AIPHAD, an active learning web application for visual understanding of phase diagrams;Communications Materials;2024-07-31

2. Automated Search Strategy for Novel Ordered Structures of Block Copolymers;ACS Macro Letters;2024-07-23

3. Targeted materials discovery using Bayesian algorithm execution;npj Computational Materials;2024-07-18

4. Curiosity-driven search for novel nonequilibrium behaviors;Physical Review Research;2024-07-11

5. Inverse design of pore wall chemistry and topology through active learning of surface group interactions;The Journal of Chemical Physics;2024-03-25

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