Papers citing Adaptive Strategies for Materials Design using Uncertainties
Efficient Use of Multiple Information Sources in Material Design
SSRN Electronic Journal · 2019-01-01
Seyede Fatemeh Ghoreishi, Abhilash Molkeri, Raymundo Arróyave, Douglas Allaire, Ankit Srivastava
Read original paper ↗ ·Extensive deep neural networks for transferring small scale learning to large scale systems
Chemical Science · 2019-01-01
Kyle Mills, Kevin Ryczko, Iryna Luchak, Adam Domurad, Chris Beeler, Isaac Tamblyn
Read original paper ↗ ·Selected Applications
SpringerBriefs in optimization · 2019-01-01
Francesco Archetti, Antonio Candelieri
Read original paper ↗ ·Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials
Challenges and advances in computational chemistry and physics · 2019-01-01
Brian C. Barnes, John K. Brennan, Edward F. C. Byrd, Sergei Izvekov, James P. Larentzos, Betsy M. Rice
Read original paper ↗ ·Materials informatics: From the atomic-level to the continuum
Acta Materialia · 2019-01-30
Jeffrey M. Rickman, Turab Lookman, Sergei V. Kalinin
Read original paper ↗ ·Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design
npj Computational Materials · 2019-02-18
Turab Lookman, Prasanna V. Balachandran, Dezhen Xue, Ruihao Yuan
Read original paper ↗ ·Rocketsled: a software library for optimizing high-throughput computational searches
Journal of Physics Materials · 2019-03-04
Alexander Dunn, Julien Brenneck, Anubhav Jain
Read original paper ↗ ·Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models
Journal of Chemical Theory and Computation · 2019-03-12
Chenru Duan, Jon Paul Janet, Fang Liu, Aditya Nandy, Heather J. Kulik
Read original paper ↗ ·Machine learning guided design of functional materials with targeted properties
Computational Materials Science · 2019-04-08
Prasanna V. Balachandran
Read original paper ↗ ·Experiment Design Frameworks for Accelerated Discovery of Targeted Materials Across Scales
Frontiers in Materials · 2019-04-24
Anjana Talapatra, Shahin Boluki, Pejman Honarmandi, Alexandros G Solomou, Guang Zhao, Seyede Fatemeh Ghoreishi, Abhilash Molkeri, Douglas Allaire, Ankit Srivastava, Xiaoning Qian, Edward R. Dougherty, Dimitris C. Lagoudas, Raymundo Arróyave
Read original paper ↗ ·Monte Carlo tree search for materials design and discovery
MRS Communications · 2019-05-03
Sae Dieb, Shenghong Ju, Junichiro Shiomi, Koji Tsuda
Read original paper ↗ ·Accelerated Discovery of Sustainable Building Materials
arXiv (Cornell University) · 2019-05-20
Xiou Ge, Richard Goodwin, Jeremy R. Gregory, Randolph Kirchain, Maria, Joana, Lav R. Varshney
Read original paper ↗ ·Bayesian optimization for conformer generation
Journal of Cheminformatics · 2019-05-21
Lucian Chan, Geoffrey Hutchison, Garrett M. Morris
Read original paper ↗ ·Bayesian Optimization for Accelerating Hyper-Parameter Tuning
IEEE International Conference on Artificial Intelligence and Knowledge Engineering (AIKE) · 2019-06-01
Vu Nguyen
Read original paper ↗ ·A Latent Variable Approach to Gaussian Process Modeling with Qualitative and Quantitative Factors
Technometrics · 2019-07-01
Yichi Zhang, Siyu Tao, Wei Chen, Daniel W. Apley
Read original paper ↗ ·Recent advances and applications of machine learning in solid-state materials science
npj Computational Materials · 2019-08-08
Jonathan Schmidt, Mário R. G. Marques, Silvana Botti, Miguel A. L. Marques
Read original paper ↗ ·A Kriging-Based Approach to Autonomous Experimentation with Applications to X-Ray Scattering
Scientific Reports · 2019-08-14
Marcus M. Noack, Kevin G. Yager, Masafumi Fukuto, Gregory S. Doerk, Ruipeng Li, James A. Sethian
Read original paper ↗ ·Cognitive Chemistry: The Marriage of Machine Learning and Chemistry to Accelerate Materials Discovery
Unknown journal · 2019-08-16
Edward O. Pyzer‐Knapp
Read original paper ↗ ·Understanding ML Driven HPC: Applications and Infrastructure
International Conference on e-Science · 2019-09-01
Shantenu Jha, Geoffrey Fox
Read original paper ↗ ·Accelerated Search for BaTiO3‐Based Ceramics with Large Energy Storage at Low Fields Using Machine Learning and Experimental Design
Advanced Science · 2019-09-02
Ruihao Yuan, Yuan Tian, Dezhen Xue, Deqing Xue, Deqing Xue, Deqing Xue, Yumei Zhou, Xiangdong Ding, Jun Feng Sun, Turab Lookman
Read original paper ↗ ·Understanding ML driven HPC: Applications and Infrastructure
arXiv (Cornell University) · 2019-09-05
Geoffrey Fox, Shantenu Jha
Read original paper ↗ ·Autonome Entdeckung in den chemischen Wissenschaften, Teil I: Fortschritt
Angewandte Chemie · 2019-09-25
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Autonomous Discovery in the Chemical Sciences Part I: Progress
Angewandte Chemie International Edition · 2019-09-25
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Data Infrastructure Elements in Support of Accelerated Materials Innovation: ELA, PyMKS, and MATIN
Integrating materials and manufacturing innovation · 2019-10-10
Surya R. Kalidindi, Ali Khosravani, Berkay Yucel, Apaar Shanker, Aleksandr L. Blekh
Read original paper ↗ ·Virtual Issue on Machine-Learning Discoveries in Materials Science
Chemistry of Materials · 2019-10-22
Anton O. Oliynyk, Jillian M. Buriak
Read original paper ↗ ·Computational Strategies to Increase Efficiency of Gaussian-Process-Driven Autonomous Experiments
Unknown journal · 2019-11-01
Marcus M. Noack, Petrus H. Zwart
Read original paper ↗ ·Machine learning approaches for ELNES/XANES
Microscopy · 2019-11-11
Teruyasu Mizoguchi, Shin Kiyohara
Read original paper ↗ ·The Materials Research Platform: Defining the Requirements from User Stories
Matter · 2019-11-27
Muratahan Aykol, Jens S. Hummelshøj, Abraham Anapolsky, Koutarou Aoyagi, Martin Z. Bazant, Thomas Bligaard, Richard D. Braatz, Scott Broderick, Daniel A. Cogswell, John M. Dagdelen, Walter S. Drisdell, R. Edwin Garcı́a, Krishna Garikipati, Vikram Gavini, William E. Gent, Livia Giordano, Carla Pedro Gomes, Rafael Gómez‐Bombarelli, Chirranjeevi Balaji Gopal, John M. Gregoire, Jeffrey C. Grossman, Patrick K. Herring, Linda Hung, Thomas Francisco Jaramillo, Laurie Ann King, Ha-Kyung Kwon, Ryosuke Maekawa, Andrew M. Minor, Joseph H. Montoya, Tim Mueller, Colin Ophus, Krishna Rajan, Rampi Ramprasad, Brian A. Rohr, Daniel Schweigert, Yang Shao‐Horn, Yoshinori Suga, Santosh K. Suram, Venkatasubramanian Viswanathan, Jay F. Whitacre, Adam P. Willard, Olga Wodo, Chris M. Wolverton, Brian D. Storey
Read original paper ↗ ·Phase prediction in high entropy alloys with a rational selection of materials descriptors and machine learning models
Acta Materialia · 2019-12-04
Yan Zhang, Cheng Wen, Changxin Wang, Stoichko Antonov, Dezhen Xue, Yang Bai, Yanjing Su
Read original paper ↗ ·Bayesian Global Optimization applied to the design of shape-memory alloys
Elsevier eBooks · 2020-01-01
Dezhen Xue, Yuan Tian, Ruihao Yuan, Turab Lookman
Read original paper ↗ ·Benchmarking the acceleration of materials discovery by sequential learning
Chemical Science · 2020-01-01
Brian A. Rohr, Helge Sören Stein, Dan Guevarra, Yu Wang, Joel A. Haber, Muratahan Aykol, Santosh K. Suram, John M. Gregoire
Read original paper ↗ ·Data centric nanocomposites design via mixed-variable Bayesian optimization
Molecular Systems Design & Engineering · 2020-01-01
Akshay Iyer, Yichi Zhang, Aditya Shanker Prasad, Praveen Gupta, Siyu Tao, Yixing Wang, Prajakta Prabhune, Linda S. Schadler, L. Catherine Brinson, Wei Chen
Read original paper ↗ ·Learning with Large Databases
Synthesis lectures on materials and optics · 2020-01-01
Ghanshyam Pilania, Prasanna V. Balachandran, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Learning with Small Databases
Synthesis lectures on materials and optics · 2020-01-01
Ghanshyam Pilania, Prasanna V. Balachandran, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Machine-Learning-Assisted De Novo Design of Organic Molecules and Polymers: Opportunities and Challenges
Polymers · 2020-01-08
Guang Chen, Zhiqiang Shen, Akshay Iyer, Umar Farooq Ghumman, Shan Tang, Jinbo Bi, Wei Chen, Ying Li
Read original paper ↗ ·Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles
The International Journal of High Performance Computing Applications · 2020-01-14
JCS Kadupitiya, Geoffrey Fox, Vikram Jadhao
Read original paper ↗ ·Uncertainty Quantification and Propagation in Computational Materials Science and Simulation-Assisted Materials Design
Integrating materials and manufacturing innovation · 2020-01-23
Pejman Honarmandi, Raymundo Arróyave
Read original paper ↗ ·Advances in Kriging-Based Autonomous X-Ray Scattering Experiments
Scientific Reports · 2020-01-28
Marcus M. Noack, Gregory S. Doerk, Ruipeng Li, Masafumi Fukuto, Kevin G. Yager
Read original paper ↗ ·A Critical Review of Machine Learning of Energy Materials
Advanced Energy Materials · 2020-01-29
Chi Chen, Yunxing Zuo, Weike Ye, Xiangguo Li, Zhi Deng, Shyue Ping Ong
Read original paper ↗ ·Computational functionality‐driven design of semiconductors for optoelectronic applications
InfoMat · 2020-02-27
Zhun Liu, Guangren Na, Fuyu Tian, Liping Yu, Jingbo Li, Lijun Zhang
Read original paper ↗ ·Data-Based Methods for Materials Design and Discovery: Basic Ideas and General Methods
Synthesis lectures on materials and optics · 2020-03-06
Ghanshyam Pilania, Prasanna V. Balachandran, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Bayesian optimization based on a unified figure of merit for accelerated materials screening: A case study of halide perovskites
Science China Materials · 2020-03-16
Xiwen Chen, Chen Wang, Zhenzhu Li, Zhufeng Hou, Wan‐Jian Yin
Read original paper ↗ ·Bayesian Optimization for Materials Design with Mixed Quantitative and Qualitative Variables
Scientific Reports · 2020-03-18
Yichi Zhang, Daniel W. Apley, Wei Chen
Read original paper ↗ ·Composition design of 7XXX aluminum alloys optimizing stress corrosion cracking resistance using machine learning
Materials Research Express · 2020-03-30
Xinyu Cao, Yingbo Zhang, Jiaheng Li, Hui Chen
Read original paper ↗ ·Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics
Chemistry of Materials · 2020-04-22
Yanming Wang, Tian Xie, Arthur France‐Lanord, Arthur Berkley, Jeremiah A. Johnson, Yang Shao‐Horn, Jeffrey C. Grossman
Read original paper ↗ ·Discovery of superionic conductors by ensemble-scope descriptor
NPG Asia Materials · 2020-04-23
Seiji Kajita, Nobuko Ohba, Akitoshi Suzumura, Shin Tajima, Ryoji Asahi
Read original paper ↗ ·Adaptive design of a universal automotive ball joint separating device
Transportation Engineering · 2020-07-01
Christian Emeka Okafor, Okpa Omena Oghenemaero, Modebelu Chukwuebuka, Osinachi Odeke Isaac
Read original paper ↗ ·Adaptive machine learning for efficient materials design
MRS Bulletin · 2020-07-01
Prasanna V. Balachandran
Read original paper ↗ ·Role of uncertainty estimation in accelerating materials development via active learning
Journal of Applied Physics · 2020-07-02
Yuan Tian, Ruihao Yuan, Dezhen Xue, Yumei Zhou, Xiangdong Ding, Jun Feng Sun, Turab Lookman
Read original paper ↗ ·A New Era of Inorganic Materials Discovery Powered by Data Science
Royal Society of Chemistry eBooks · 2020-07-15
Ya Zhuo, Aria Mansouri Tehrani, Jakoah Brgoch
Read original paper ↗ ·