Papers citing Toward autonomous design and synthesis of novel inorganic materials
Process intensification 4.0: A new approach for attaining new, sustainable and circular processes enabled by machine learning
Chemical Engineering and Processing - Process Intensification · 2021
Enrique A. López-Guajardo, Fernando Delgado‐Licona, A. Alvarez, Krishna D.P. Nigam, Alejandro Montesinos‐Castellanos, Rubén Morales-Menéndez
Read original paper ↗ ·XERUS: An open-source tool for quick XRD phase identification and refinement automation
arXiv (Cornell University) · 2021
Pedro Baptista de Castro, Kensei Terashima, Miren Garbiñe Esparza Echevarría, Hiroyuki Takeya, Yoshihiko Takano
Read original paper ↗ ·Flexible automation accelerates materials discovery
Nature Materials · 2021
Benjamin P. MacLeod, Fraser G. L. Parlane, Amanda K. Brown, Jason E. Hein, Curtis P. Berlinguette
Read original paper ↗ ·Data-Centric Architecture for Self-Driving Laboratories with Autonomous Discovery of New Nanomaterials
Nanomaterials · 2021
Maria A. Butakova, Andrey V. Chernov, Oleg O. Kartashov, Alexander V. Soldatov
Read original paper ↗ ·Towards Predictive Synthesis of Inorganic Materials Using Network Science
Frontiers in Chemistry · 2021
Alex Aziz, Javier Carrasco
Read original paper ↗ ·Progress in Materials Data Availability and Application: A review
IEEE Signal Processing Magazine · 2021
Chandler A. Becker, James A. Warren
Read original paper ↗ ·Constructing trifunctional MoTe 2 /As van der Waals heterostructures for versatile energy applications
New Journal of Chemistry · 2022
Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Thong Leng Lim, Yik Seng Yong, Lay Chen Low, Moi Hua Tuh
Read original paper ↗ ·Machine learning for design principles for single atom catalysts towards electrochemical reactions
Journal of Materials Chemistry A · 2022
Mohsen Tamtaji, Hanyu Gao, Md Delowar Hossain, Patrick Ryan Galligan, Hoilun Wong, Zhenjing Liu, Hongwei Liu, Yuting Cai, William A. Goddard, Zhengtang Luo
Read original paper ↗ ·Prospects and challenges for autonomous catalyst discovery viewed from an experimental perspective
Catalysis Science & Technology · 2022
Annette Trunschke
Read original paper ↗ ·Self-learning entropic population annealing for interpretable materials design
Digital Discovery · 2022
Jiawen Li, Jinzhe Zhang, Ryo Tamura, Koji Tsuda
Read original paper ↗ ·ULSA: unified language of synthesis actions for the representation of inorganic synthesis protocols
Digital Discovery · 2022
Zheren Wang, Kevin Cruse, Yuxing Fei, Ann Chia, Yan Zeng, Haoyan Huo, Tanjin He, Bowen Deng, Olga Kononova, Gerbrand Ceder
Read original paper ↗ ·Why Invariance Becomes a Liability: Failure Modes of Rotationally Invariant GNNs for Anisotropic Elastic Constants
Journal of Computational and Data-Driven Materials Engineering · 2022
Michael Turner, Sophia Nguyen, David Clark, Emma Wilson
Read original paper ↗ ·Toward autonomous materials research: Recent progress and future challenges
Applied Physics Reviews · 2022
Joseph H. Montoya, Muratahan Aykol, Abraham Anapolsky, Chirranjeevi Balaji Gopal, Patrick K. Herring, Jens S. Hummelshøj, Linda Hung, Ha-Kyung Kwon, Daniel Schweigert, Shijing Sun, Santosh K. Suram, Steven B. Torrisi, Amalie Trewartha, Brian D. Storey
Read original paper ↗ ·Active meta-learning for predicting and selecting perovskite crystallization experiments
The Journal of Chemical Physics · 2022
Venkateswaran Shekar, Gareth Nicholas, Mansoor Ani Najeeb, Margaret Zeile, Vincent Yu, Xiaorong Wang, Dylan Slack, Zhi Li, Philip W. Nega, Emory M. Chan, Alexander J. Norquist, Joshua Schrier, Sorelle A. Friedler
Read original paper ↗ ·Autonomous Nanocrystal Doping by Self‐Driving Fluidic Micro‐Processors
Advanced Intelligent Systems · 2022
Fazel Bateni, Robert W. Epps, Kameel Antami, Rokas Dargis, Jeffery A. Bennett, Kristofer G. Reyes, Milad Abolhasani
Read original paper ↗ ·Recent advances and applications of deep learning methods in materials science
npj Computational Materials · 2022
Kamal Kumar Choudhary, Brian DeCost, Chi Chen, Anubhav Jain, Francesca Tavazza, Ryan Cohn, Cheol Woo Park, Alok Choudhary, Ankit Agrawal, Simon J. L. Billinge, Elizabeth A. Holm, Shyue Ping Ong, Chris M. Wolverton
Read original paper ↗ ·Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction
Advanced Intelligent Systems · 2022
Byung Do Lee, Jin-Woong Lee, Woon Bae Park, Joonseo Park, Min-Young Cho, Satendra Pal Singh, Myoungho Pyo, Kee‐Sun Sohn
Read original paper ↗ ·Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature
Scientific Data · 2022
Zheren Wang, Olga Kononova, Kevin Cruse, Tanjin He, Haoyan Huo, Yuxing Fei, Yan Zeng, Yingzhi Sun, Zijian Cai, Wenhao Q. Sun, Gerbrand Ceder
Read original paper ↗ ·Recent progress in generative adversarial networks applied to inversely designing inorganic materials: A brief review
Computational Materials Science · 2022
Rahma Jabbar, Rahma Jabbar, Rateb Jabbar, Rateb Jabbar, S. Kamoun
Read original paper ↗ ·Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models
ChemRxiv · 2022
Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loı̈c M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle A. Friedler, Joshua Schrier
Read original paper ↗ ·Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models
ChemRxiv · 2022
Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loı̈c M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle A. Friedler, Joshua Schrier
Read original paper ↗ ·Machine-Learning Rationalization and Prediction of Solid-State Synthesis Conditions
Chemistry of Materials · 2022
Haoyan Huo, Christopher J. Bartel, Tanjin He, Amalie Trewartha, Alexander Dunn, Bin Ouyang, Anubhav Jain, Gerbrand Ceder
Read original paper ↗ ·Human- and machine-centred designs of molecules and materials for sustainability and decarbonization
Nature Reviews Materials · 2022
Jiayu Peng, Daniel Schwalbe‐Koda, Karthik Akkiraju, Tian Xie, Livia Giordano, Yang Yu, C. John Eom, Jaclyn R. Lunger, Daniel J. Zheng, Reshma R. Rao, Sokseiha Muy, Jeffrey C. Grossman, Karsten Reuter, Rafael Gómez‐Bombarelli, Yang Shao‐Horn
Read original paper ↗ ·Predicting hydrogen storage capacity of V–Ti–Cr–Fe alloy via ensemble machine learning
International Journal of Hydrogen Energy · 2022
Ziliang Lu, Jianwei Wang, Yuanfang Wu, Xiumei Guo, Wei Xiao
Read original paper ↗ ·Emerging Heterogeneous Supports for Efficient Electrocatalysis
Small Methods · 2022
Meihong Fan, Lili Cui, Xingquan He, Xiaoxin Zou
Read original paper ↗ ·Intensification of catalytic reactors: A synergic effort of Multiscale Modeling, Machine Learning and Additive Manufacturing
Chemical Engineering and Processing - Process Intensification · 2022
Mauro Bracconi
Read original paper ↗ ·Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization
Science and Technology of Advanced Materials Methods · 2022
Yuma Iwasaki, Jaekyun Hwang, Yuya Sakuraba, Masato Kotsugi, Yasuhiko Igarashi
Read original paper ↗ ·Recommender system for discovery of inorganic compounds
npj Computational Materials · 2022
Hiroyuki Hayashi, Atsuto Seko, Isao Tanaka
Read original paper ↗ ·A Framework for the Optimal Selection of High-Throughput Data Collection Workflows by Autonomous Experimentation Systems
Integrating materials and manufacturing innovation · 2022
Rohan Casukhela, Sriram Vijayan, Joerg Ralf Jinschek, Stephen R. Niezgoda
Read original paper ↗ ·Design of Dual Purpose Fe‐metallogel for Magnetic Refrigeration and Fabrication of Schottky Barrier Diode
ChemistrySelect · 2022
Sayan Saha, Baisakhi Pal, Krishna Sundar Das, Pradeepta Kumar Ghose, Avik Ghosh, Avik De, Abhijit K. Das, Partha Pratim Ray, Raju Mondal
Read original paper ↗ ·Machine-learning for designing nanoarchitectured materials by dealloying
Communications Materials · 2022
Chonghang Zhao, Cheng-Chu Chung, Siying Jiang, Marcus M. Noack, Jiun-Han Chen, Kedar Manandhar, Joshua K. Lynch, Hui Zhong, Wei Zhu, Phillip M. Maffettone, Daniel Olds, Masafumi Fukuto, Ichiro Takeuchi, Sanjit Ghose, Thomas A Caswell, Kevin G. Yager, Yu‐chen Karen Chen‐Wiegart
Read original paper ↗ ·Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation
Progress in Materials Science · 2022
Yunchao Xie, Kianoosh Sattari, Chi Zhang, Jian Lin
Read original paper ↗ ·High-entropy mechanism to boost ionic conductivity
Science · 2022
Yan Zeng, Bin Ouyang, Jue Liu, Young‐Woon Byeon, Zijian Cai, Lincoln J. Miara, Yan Eric Wang, Gerbrand Ceder
Read original paper ↗ ·Research Acceleration in Self‐Driving Labs: Technological Roadmap toward Accelerated Materials and Molecular Discovery
Advanced Intelligent Systems · 2022
Fernando Delgado‐Licona, Milad Abolhasani
Read original paper ↗ ·Machine learning-inspired battery material innovation
Energy Advances · 2023
Man‐Fai Ng, Yongming Sun, Zhi Wei Seh
Read original paper ↗ ·Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network
Digital Discovery · 2023
Daniel Gleaves, Nihang Fu, Edirisuriya M. Dilanga Siriwardane, Yong Zhao, Jianjun Hu
Read original paper ↗ ·The synthesis and combined electrical–magnetic and toxic dye sequestration properties of a Cr( iii )-metallogel
Materials Advances · 2023
Krishna Sundar Das, Mainak Das, Sayan Saha, Amit Adhikary, Sukhen Bala, Partha Pratim Ray, Raju Mondal
Read original paper ↗ ·Real-Time Diagnostics of 2D Crystal Transformations by Pulsed Laser Deposition: Controlled Synthesis of Janus WSSe Monolayers and Alloys
ACS Nano · 2023
Sumner B. Harris, Yu‐Chuan Lin, Alexander A. Puretzky, Liangbo Liang, Ondrej Dyck, Tom Berlijn, Gyula Eres, Christopher M. Rouleau, Kai Xiao, David B. Geohegan
Read original paper ↗ ·Relationships between synthesis conditions and TiN coating properties discovered from the data driven approach
Thin Solid Films · 2023
Mikhail Lifar, Sergey Alexandrovich Guda, S.A. Guda, Oleg V. Kudryakov, Alexander Alexandrovich Guda, Danil M. Pashkov, Yury V. Rusalev, Yu. F. Migal, Alexander V. Soldatov, В. И. Колесников
Read original paper ↗ ·Adaptively driven X-ray diffraction guided by machine learning for autonomous phase identification
npj Computational Materials · 2023
Nathan J. Szymanski, Christopher J. Bartel, Yan Zeng, Mouhamad Said Diallo, Haegyeom Kim, Gerbrand Ceder
Read original paper ↗ ·Autonomous experimental systems in materials science
Science and Technology of Advanced Materials Methods · 2023
Naoya Ishizuki, Ryota Shimizu, Taro Hitosugi
Read original paper ↗ ·Autonomous decision making for solid-state synthesis of inorganic materials
arXiv (Cornell University) · 2023
Nathan J. Szymanski, Pragnay Nevatia, Christopher J. Bartel, Yan Zeng, Gerbrand Ceder
Read original paper ↗ ·Computer-assisted discovery and rational synthesis of ternary oxides
ChemRxiv · 2023
Joseph H. Montoya, Carolyn A. Grimley, Muratahan Aykol, Colin Ophus, Hadas Sternlicht, Benjamin H. Savitzky, Andrew M. Minor, Steven B. Torrisi, Jackson Goedjen, Ching‐Chang Chung, Andrew H. Comstock, Shijing Sun
Read original paper ↗ ·Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops
Venue not supplied by source · 2023
Jonathan T. Carter, John Feddema, D.B. Kothe, Rob Neely, J Pruet, Rick L. Stevens, Prasanna Balaprakash, Pete Beckman, Ian T Foster, Kamil A. Iskra, Arvind Ramanathan, Valerie Taylor, Rajeev Thakur, D. Agarwal, Silvia N. Crivelli, Bert de Jong, Damian W. I. Rouson, Mike Sohn, Michael Wetter, Stefan M. Wild, Peer‐Timo Bremer, Michael Goldman, Ana Kupresanin, Luc Peterson, B. K. Spears, Dave Stevens, Brian Van Essen, Russell W. Bent, M.J. Grosskopf, Earl Lawrence, Galen M Shipman, Kelly Rose, Ray Grout, Nicholson Kouakpaizan, Olufemi A. Omitaomu, Slaven Peleš, Pradeep Ramuhalli, Mallikarjun Shankar, David E. Womble, Guannan Zhang, Tommie Catanach, Ron A. Oldfield, Sivasankaran Rajamanickam, Jaideep Ray, Mary Ann Leung, Charles E. Catlett, Emily M. Dietrich
Read original paper ↗ ·Proteolysis-targeting chimeras in biotherapeutics: Current trends and future applications
European Journal of Medicinal Chemistry · 2023
Qiong Li, Li Zhou, Siyuan Qin, Zhao Huang, Bowen Li, Bowen Li, Mei Yang, Edouard Collins Nice, Huili Zhu, Canhua Huang
Read original paper ↗ ·The promise and pitfalls of AI for molecular and materials synthesis
Nature Computational Science · 2023
Nicholas David, Wenhao Q. Sun, Connor W. Coley
Read original paper ↗ ·Bayesian optimization of metastable nickel formation during the spontaneous crystallization under extreme conditions
Journal of Applied Physics · 2023
Sina Malakpour Estalaki, Tengfei Luo, Khachatur V. Manukyan
Read original paper ↗ ·A Deep Learning Approach to Powder X‐Ray Diffraction Pattern Analysis: Addressing Generalizability and Perturbation Issues Simultaneously
Advanced Intelligent Systems · 2023
Byung Do Lee, Jin-Woong Lee, Junuk Ahn, Seonghwan Kim, Woon Bae Park, Kee‐Sun Sohn
Read original paper ↗ ·Validating neural networks for spectroscopic classification on a universal synthetic dataset
npj Computational Materials · 2023
Jan Schuetzke, Nathan J. Szymanski, Markus Reischl
Read original paper ↗ ·Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature
Science Advances · 2023
Tanjin He, Haoyan Huo, Christopher J. Bartel, Zheren Wang, Kevin Cruse, Gerbrand Ceder
Read original paper ↗ ·