Accelerated Discovery of Large Electrostrains in BaTiO 3 -Based Piezoelectrics Using Active Learning
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January 2018 |
Accelerated Search for BaTiO 3 ‐Based Ceramics with Large Energy Storage at Low Fields Using Machine Learning and Experimental Design
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August 2019 |
A Critical Review of Machine Learning of Energy Materials
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January 2020 |
Material data mining in Nianyi Chen's scientific family: Material data mining in Nianyi Chen's scientific family
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February 2018 |
Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials
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book
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February 2019 |
Importance of Feature Selection in Machine Learning and Adaptive Design for Materials
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book
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January 2018 |
Filtering Bayesian optimization approach in weakly specified search space
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July 2018 |
Materials informatics
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January 2018 |
Data Infrastructure Elements in Support of Accelerated Materials Innovation: ELA, PyMKS, and MATIN
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October 2019 |
Uncertainty Quantification and Propagation in Computational Materials Science and Simulation-Assisted Materials Design
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January 2020 |
Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design
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February 2019 |
Recent advances and applications of machine learning in solid-state materials science
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August 2019 |
Rapid Bayesian optimisation for synthesis of short polymer fiber materials
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July 2017 |
Multi-objective Optimization for Materials Discovery via Adaptive Design
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February 2018 |
Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application
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April 2018 |
A Kriging-Based Approach to Autonomous Experimentation with Applications to X-Ray Scattering
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August 2019 |
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds
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October 2016 |
Structure prediction of boron-doped graphene by machine learning
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March 2018 |
Accelerated search for BaTiO 3 -based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning
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November 2016 |
Rocketsled: a software library for optimizing high-throughput computational searches
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April 2019 |
Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles
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January 2020 |
Bayesian optimization for conformer generation
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May 2019 |
Bayesian optimization for computationally extensive probability distributions
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March 2018 |
Finding New Perovskite Halides via Machine Learning
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April 2016 |
Machine-Learning-Assisted De Novo Design of Organic Molecules and Polymers: Opportunities and Challenges
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January 2020 |
MDTS: automatic complex materials design using Monte Carlo tree search
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text
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January 2017 |
MDTS: automatic complex materials design using Monte Carlo tree search
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journal
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July 2017 |
Materials informatics
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journal
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April 2009 |
Bayesian Optimization for Conformer Generation
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posted_content
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October 2018 |
Materials Informatics
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journal
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April 2009 |
Bayesian Optimization for Conformer Generation
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posted_content
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February 2019 |
Bayesian Optimization for Conformer Generation
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posted_content
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October 2018 |
Machine Learning for Parameter Auto-tuning in Molecular Dynamics Simulations: Efficient Dynamics of Ions near Polarizable Nanoparticles
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text
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January 2019 |
Extensive deep neural networks for transferring small scale learning to large scale systems
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January 2017 |
Rapid Bayesian optimisation for synthesis of short polymer fiber materials
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preprint
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January 2018 |
Autonomous Efficient Experiment Design for Materials Discovery with Bayesian Model Averaging
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text
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January 2018 |
MDTS: automatic complex materials design using Monte Carlo tree search
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text
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January 2017 |
Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy
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journal
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September 2018 |
Advances in Kriging-Based Autonomous X-Ray Scattering Experiments
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January 2020 |
Bayesian Optimization for Materials Design with Mixed Quantitative and Qualitative Variables
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journal
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March 2020 |
Bayesian optimization for computationally extensive probability distributions
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text
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January 2018 |