Review
Published on 05 Jun 2019
Coupled Cluster Theory in Materials Science
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00123
- 17,481 views
- 96 citations
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181 articles
Articles
Original Research
Published on 31 May 2019
A Simple Approach to Atomic Structure Characterization for Machine Learning of Grain Boundary Structure-Property Models
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00120
- 5,679 views
- 10 citations
Review
Published on 15 May 2019
A Review of the Application of Machine Learning and Data Mining Approaches in Continuum Materials Mechanics
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00110
- 52,160 views
- 288 citations
Original Research
Published on 08 May 2019
Hierarchical Machine Learning Model for Mechanical Property Predictions of Polyurethane Elastomers From Small Datasets
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00087
- 11,497 views
- 25 citations
Original Research
Published on 03 May 2019
On-the-Fly Adaptivity for Nonlinear Twoscale Simulations Using Artificial Neural Networks and Reduced Order Modeling
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00075
- 3,920 views
- 55 citations
Review
Published on 24 Apr 2019
Experiment Design Frameworks for Accelerated Discovery of Targeted Materials Across Scales
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00082
- 5,989 views
- 23 citations
Original Research
Published on 17 Apr 2019
General Multi-Fidelity Framework for Training Artificial Neural Networks With Computational Models
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00061
- 6,374 views
- 28 citations
Original Research
Published on 05 Apr 2019
Data Science Based Mg Corrosion Engineering
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00053
- 5,682 views
- 40 citations
Original Research
Published on 15 Feb 2019
Learning Corrections for Hyperelastic Models From Data
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00014
- 4,442 views
- 66 citations
Review
Published on 20 Dec 2018
Perspectives on the Theory of Defects
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2018.00070
- 19,614 views
- 26 citations
Original Research
Published on 26 Nov 2018
Connections Between Topology and Macroscopic Mechanical Properties of Three-Dimensional Open-Pore Materials
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2018.00069
- 4,637 views
- 43 citations
Original Research
Published on 14 Mar 2018
The Effect of Alkaline Cations on the Intercalation of Carbon Dioxide in Sepiolite Minerals: A Molecular Dynamics Investigation
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2018.00012
- 3,283 views
- 2 citations
Mini Review
Published on 02 Feb 2018
High-Throughput Molecular Simulations of Metal Organic Frameworks for CO2 Separation: Opportunities and Challenges
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2018.00004
- 9,526 views
- 30 citations
Original Research
Published on 13 Nov 2017
Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2017.00034
- 14,913 views
- 62 citations
Original Research
Published on 27 Jun 2016
Theory-Guided Machine Learning in Materials Science
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2016.00028
- 20,574 views
- 130 citations
Original Research
Published on 26 Apr 2016
Finding New Perovskite Halides via Machine Learning
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2016.00019
- 33,872 views
- 163 citations