Papers citing Adaptive Strategies for Materials Design using Uncertainties
Structure–Curie temperature relationships in BaTiO3 -based ferroelectric perovskites: Anomalous behavior of (Ba,Cd)TiO3 from DFT, statistical inference, and experiments
Physical review. B./Physical review. B · 2016
Prasanna V. Balachandran, Dezhen Xue, Turab Lookman
Read original paper ↗ ·Finding New Perovskite Halides via Machine Learning
Frontiers in Materials · 2016
Ghanshyam Pilania, Prasanna V. Balachandran, Chiho Kim, Turab Lookman
Read original paper ↗ ·COMBO: An efficient Bayesian optimization library for materials science
Materials Discovery · 2016
Tsuyoshi Ueno, Trevor David Rhone, Zhufeng Hou, Teruyasu Mizoguchi, Koji Tsuda
Read original paper ↗ ·Atomistic calculations and materials informatics: A review
Current Opinion in Solid State and Materials Science · 2016
Logan T. Ward, Chris M. Wolverton
Read original paper ↗ ·High-throughput combinatorial study of the effect of M site alloying on the solid solution behavior of M2AlC MAX phases
Physical review. B./Physical review. B · 2016
Anjana Talapatra, Thien C. Duong, Woongrak Son, Huili Gao, Miladin Radović, Raymundo Arróyave
Read original paper ↗ ·A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds
Scientific Reports · 2016
Maarten de Jong, Wei Chen, Randy J. Notestine, Kristin Aslaug Persson, Gerbrand Ceder, Anubhav Jain, Mark Asta, Anthony C. Gamst
Read original paper ↗ ·Statistical inference and adaptive design for materials discovery
Current Opinion in Solid State and Materials Science · 2016
Turab Lookman, Prasanna V. Balachandran, Dezhen Xue, John Hogden, James P. Theiler
Read original paper ↗ ·Accelerated search for BaTiO 3 -based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning
Proceedings of the National Academy of Sciences · 2016
Dezhen Xue, Prasanna V. Balachandran, Ruihao Yuan, Tao Hu, Xiaoning Qian, Edward R. Dougherty, Turab Lookman
Read original paper ↗ ·Neural-Network-Biased Genetic Algorithms for Materials Design: Evolutionary Algorithms That Learn
ACS Combinatorial Science · 2016
Tarak K. Patra, Venkatesh Meenakshisundaram, Jui-Hsiang Hung, David Simmons
Read original paper ↗ ·Overview of Bayesian Optimization in Materials Science
SpringerBriefs in the mathematics of materials · 2017
Daniel M. Packwood
Read original paper ↗ ·An informatics approach to transformation temperatures of NiTi-based shape memory alloys
Acta Materialia · 2017
Dezhen Xue, Deqing Xue, Deqing Xue, Deqing Xue, Ruihao Yuan, Yumei Zhou, Prasanna V. Balachandran, Xiangdong Ding, Jun Feng Sun, Turab Lookman
Read original paper ↗ ·Optimal experimental design for materials discovery
Computational Materials Science · 2017
Roozbeh Dehghannasiri, Dezhen Xue, Prasanna V. Balachandran, Mohammadmahdi R. Yousefi, Lori A. Dalton, Turab Lookman, Edward R. Dougherty
Read original paper ↗ ·Error estimation in high-throughput density functional theory calculation for material property: elastic constants of cubic binary alloy case
Computational Materials Science · 2017
Juan Wang, Xiaoyu Yang, Guisheng Wang, Jie Ren, Zongguo Wang, Xushan Zhao, Yue Dou Pan
Read original paper ↗ ·Data mining assisted materials design of layered double hydroxide with desired specific surface area
Computational Materials Science · 2017
Biao Hu, Kailiang Lu, Qing Zhang, Xiaobo Ji, Wencong Lu
Read original paper ↗ ·Selecting the selector: Comparison of update rules for discrete global optimization
Statistical Analysis and Data Mining The ASA Data Science Journal · 2017
James P. Theiler, Beate G. Zimmer
Read original paper ↗ ·Rapid prediction of molecule arrangements on metal surfaces via Bayesian optimization
Applied Physics Express · 2017
Daniel M. Packwood, Taro Hitosugi
Read original paper ↗ ·Designing High Dielectric Permittivity Material in Barium Titanate
The Journal of Physical Chemistry C · 2017
Jinghui Gao, Yongbin Liu, Yan Wang, Xinghao Hu, Wenbo Yan, Xiaoqin Ke, Lisheng Zhong, Yuting He, Xiaobing Ren
Read original paper ↗ ·Recent advances in accelerated discovery through machine learning and statistical inference
arXiv (Cornell University) · 2017
Ryan B. Jadrich, Beth A. Lindquist, Thomas M. Truskett
Read original paper ↗ ·New methods for prediction of elastic constants based on density functional theory combined with machine learning
Computational Materials Science · 2017
Juan Wang, Xiaoyu Yang, Zhi Zeng, Xiaoli Zhang, Xushan Zhao, Zongguo Wang
Read original paper ↗ ·On the stochastic phase stability of Ti2AlC-Cr2AlC
Scientific Reports · 2017
Thien C. Duong, Anjana Talapatra, Woongrak Son, Miladin Radović, Raymundo Arróyave
Read original paper ↗ ·Rapid Bayesian optimisation for synthesis of short polymer fiber materials
Scientific Reports · 2017
Cheng Li, David Rubin, Santu Rana, Sunil Gupta, Alessandra Sutti, Stewart Greenhill, Teo Slezak, Murray Height, Svetha Venkatesh
Read original paper ↗ ·MDTS: automatic complex materials design using Monte Carlo tree search
Science and Technology of Advanced Materials · 2017
Sae Dieb, Shenghong Ju, Kazuki Yoshizoe, Zhufeng Hou, Junichiro Shiomi, Koji Tsuda
Read original paper ↗ ·Diffusion in energy materials: Governing dynamics from atomistic modelling
Applied Physics Reviews · 2017
David Parfitt, Apostolos Kordatos, Petros‐Panagis Filippatos, Alexander Chroneos
Read original paper ↗ ·Bayesian Optimization in Weakly Specified Search Space
Proceedings · 2017
Vu Nguyen, Sunil Gupta, Santu Rane, Cheng Li, Svetha Venkatesh
Read original paper ↗ ·Characterization of the Optical Properties of Turbid Media by Supervised Learning of Scattering Patterns
Scientific Reports · 2017
Iman Hassaninia, Ramin Bostanabad, Wei Chen, Hooman Mohseni
Read original paper ↗ ·Dimensions, Bits, and Wows in Accelerating Materials Discovery
Springer series in materials science · 2018
Lav R. Varshney
Read original paper ↗ ·Importance of Feature Selection in Machine Learning and Adaptive Design for Materials
Springer series in materials science · 2018
Prasanna V. Balachandran, Dezhen Xue, James P. Theiler, John Hogden, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Machine Learning-Based Experimental Design in Materials Science
Springer eBooks · 2018
Sae Dieb, Koji Tsuda
Read original paper ↗ ·Accelerated Discovery of Large Electrostrains in BaTiO3‐Based Piezoelectrics Using Active Learning
Advanced Materials · 2018
Ruihao Yuan, Zhen Liu, Prasanna V. Balachandran, Deqing Xue, Deqing Xue, Yumei Zhou, Xiangdong Ding, Jun Sun, Dezhen Xue, Dezhen Xue, Turab Lookman
Read original paper ↗ ·Materials informatics
Journal of Intelligent Manufacturing · 2018
Seeram Ramakrishna, Tong‐Yi Zhang, Wencong Lu, Quan Qian, Jonathan Sze Choong Low, Jeremy H. Yune, Daren Zong Loong Tan, Stéphane Bressan, Stefano Sanvito, Surya R. Kalidindi
Read original paper ↗ ·Multi-objective Optimization for Materials Discovery via Adaptive Design
Scientific Reports · 2018
Abhijith Gopakumar, Prasanna V. Balachandran, Dezhen Xue, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Material data mining in Nianyi Chen's scientific family
Journal of Chemometrics · 2018
Wencong Lu, Wei Lv, Qing Zhang, Kailiang Lu, Xiaobo Ji
Read original paper ↗ ·Bayesian optimization for computationally extensive probability distributions
PLoS ONE · 2018
Ryo Tamura, Koji Hukushima
Read original paper ↗ ·Deep neural networks for direct, featureless learning through observation: The case of two-dimensional spin models
Physical review. E · 2018
Kyle Mills, Isaac Tamblyn
Read original paper ↗ ·Structure prediction of boron-doped graphene by machine learning
The Journal of Chemical Physics · 2018
Sae Dieb, Zhufeng Hou, Koji Tsuda
Read original paper ↗ ·Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application
Scientific Reports · 2018
Randy Jalem, Kenta Kanamori, Ichiro Takeuchi, Masanobu Nakayama, Hisatsugu Yamasaki, Toshiya Saito
Read original paper ↗ ·Identifying interphase properties in polymer nanocomposites using adaptive optimization
Composites Science and Technology · 2018
Yixing Wang, Yichi Zhang, He Zhao, Xiaolin Li, Yanhui Huang, Linda S. Schadler, Wei Chen, L. Catherine Brinson
Read original paper ↗ ·New Bayesian-Optimization-Based Design of High-Strength 7xxx-Series Alloys from Recycled Aluminum
JOM · 2018
Alireza Vahid, Santu Rana, Sunil Gupta, Pratibha Vellanki, Svetha Venkatesh, Thomas Dorin
Read original paper ↗ ·Filtering Bayesian optimization approach in weakly specified search space
Knowledge and Information Systems · 2018
Vu Nguyen, Sunil Gupta, Santu Rana, Cheng Li, Svetha Venkatesh
Read original paper ↗ ·Multi-Objective Bayesian Materials Discovery: Application on the Discovery of Precipitation Strengthened NiTi Shape Memory Alloys through Micromechanical Modeling
arXiv (Cornell University) · 2018
Alexandros G Solomou, Guang Zhao, Shahin Boluki, Jobin K. Joy, Xiaoning Qian, İbrahim Karaman, Raymundo Arróyave, Dimitris C. Lagoudas
Read original paper ↗ ·Multi-Information Source Fusion and Optimization to Realize ICME: Application to Dual-Phase Materials
Journal of Mechanical Design · 2018
Seyede Fatemeh Ghoreishi, Abhilash Molkeri, Ankit Srivastava, Raymundo Arróyave, Douglas Allaire
Read original paper ↗ ·Strategies for accelerating the adoption of materials informatics
MRS Bulletin · 2018
Logan T. Ward, Muratahan Aykol, Ben J. Blaiszik, Ian T Foster, Bryce Meredig, James E. Saal, Santosh K. Suram
Read original paper ↗ ·Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy
Scientific Reports · 2018
Shin Kiyohara, Tomohiro Miyata, Koji Tsuda, Teruyasu Mizoguchi
Read original paper ↗ ·Multi-objective Bayesian materials discovery: Application on the discovery of precipitation strengthened NiTi shape memory alloys through micromechanical modeling
Materials & Design · 2018
Alexandros G Solomou, Guang Zhao, Shahin Boluki, Jobin K. Joy, Xiaoning Qian, İbrahim Karaman, Raymundo Arróyave, Dimitris C. Lagoudas
Read original paper ↗ ·Accelerating Experimental Design by Incorporating Experimenter Hunches
Proceedings · 2018
Cheng Li, Mazher Iqbal Mohammed, Ian Gibson, Santu Rana, Sunil Gupta, Vu Nguyen, Svetha Venkatesh, Alessandra Sutti, David Rubin, Teo Slezak, Murray Height
Read original paper ↗ ·Using Data Mining To Search for Perovskite Materials with Higher Specific Surface Area
Journal of Chemical Information and Modeling · 2018
Shi Li, Dongping Chang, Xiaobo Ji, Wencong Lu
Read original paper ↗ ·Autonomous efficient experiment design for materials discovery with Bayesian model averaging
Physical Review Materials · 2018
Anjana Talapatra, S. Boluki, T. Duong, X. Qian, E. Dougherty, R. Arróyave
Read original paper ↗ ·The Search for BaTiO3-Based Piezoelectrics With Large Piezoelectric Coefficient Using Machine Learning
IEEE Transactions on Ultrasonics Ferroelectrics and Frequency Control · 2018
Ruihao Yuan, Deqing Xue, Dezhen Xue, Yumei Zhou, Xiangdong Ding, Jun Feng Sun, Turab Lookman
Read original paper ↗ ·Machine learning in materials design and discovery: Examples from the present and suggestions for the future
Physical Review Materials · 2018
James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
Physical Chemistry Chemical Physics · 2019
Deepak Jain, Suryanaman Chaube, Prerna Khullar, Sriram Goverapet Srinivasan, Beena Rai
Read original paper ↗ ·