Papers citing The 2019 materials by design roadmap
Networks of materials: Construction and structural analysis
AIChE Journal · 2020
Alexander Veremyev, Laalitha Liyanage, Marco Fornari, Vladimir L. Boginski, Stefano Curtarolo, Sergiy I. Butenko, Marco Buongiorno Nardelli
Read original paper ↗ ·Ecospheric Decontamination Attained via Green Nanobiotechnological NiO-Based Nanocatalyst Derived from Nature’s Biofactories
International Journal of Nanomedicine · 2020
Taghazal Zahra, Khuram Shahzad Ahmad, Daoud Ali
Read original paper ↗ ·POMzites: A roadmap for inverse design in metal oxide chemistry
International Journal of Quantum Chemistry · 2020
Laia Vilà‐Nadal
Read original paper ↗ ·Towards Experimental Handbooks in Catalysis
Topics in Catalysis · 2020
Annette Trunschke, Giulia Bellini, Maxime Boniface, Spencer J. Carey, Jinhu Dong, Ezgi Erdem, Lucas Foppa, Wiebke Frandsen, Michael Geske, Luca M. Ghiringhelli, Frank Girgsdies, Rania Hanna, Maike Hashagen, Michael Hävecker, Gregory S. Huff, Axel Knop‐Gericke, Gregor Koch, Peter Kraus, Jutta Kröhnert, Pierre Kube, Stephen Lohr, Thomas Lunkenbein, Liudmyla Masliuk, Raoul Naumann d’Alnoncourt, Toyin Omojola, Christoph Pratsch, Sven Richter, Christian Rohner, Frank Rosowski, Frederik Rüther, Matthias Scheffler, Robert Schlögl, Andrey Tarasov, Detre Teschner, Olaf Timpe, Philipp Trunschke, Yuanqing Wang, Sabine Wrabetz
Read original paper ↗ ·Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Journal of the American Chemical Society · 2020
Jidon Jang, Geun Ho Gu, Juhwan Noh, Juhwan Kim, Yousung Jung
Read original paper ↗ ·Electrochemistry: Retrospect and Prospects
Israel Journal of Chemistry · 2020
Ashok Kumar Shukla, T. Prem Kumar
Read original paper ↗ ·Leverage electron properties to predict phonon properties via transfer learning for semiconductors
Science Advances · 2020
Zeyu Liu, Meng Jiang, Tengfei Luo
Read original paper ↗ ·Thermoelectric Oxide Ceramics Outperforming Single Crystals Enabled by Dopant Segregations
Chemistry of Materials · 2020
Cesar-Octavio Romo-De-La-Cruz, Yun Chen, Liang Liang, Mark Christopher Williams, Xueyan Song
Read original paper ↗ ·Uncertainty Quantification of Machine Learning Predicted Creep Property of Alumina-Forming Austenitic Alloys
JOM · 2020
Jian Peng, Yukinori Yamamoto, Michael P. Brady, Sangkeun Matthew Lee, J. Allen Haynes, Dongwon Shin
Read original paper ↗ ·Generalized small set of ordered structures method for the solid-solution phase of high-entropy alloys
Physical review. B./Physical review. B · 2020
V. Sorkin, Teck Leong Tan, Zhi Gen Yu, Yong‐Wei Zhang
Read original paper ↗ ·Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments
The Journal of Physical Chemistry A · 2020
Imanuel Bier, Noa Marom
Read original paper ↗ ·Die Materialsynthesemaschine
Nachrichten aus der Chemie · 2020
Helge Sören Stein, Markus Suta, Janine George
Read original paper ↗ ·Perovskite-inspired materials for photovoltaics and beyond—from design to devices
Nanotechnology · 2020
Yi‐Teng Huang, Seán R. Kavanagh, David O. Scanlon, Aron Walsh, Robert L. Z. Hoye
Read original paper ↗ ·Self-Driving Laboratories Coming of Age
Joule · 2020
G. W. Crabtree
Read original paper ↗ ·Artificial neural networks for predicting charge transfer coupling
The Journal of Chemical Physics · 2020
Chun-I Wang, Ignasius Joanito, Chang‐Feng Lan, Chao‐Ping Hsu
Read original paper ↗ ·High-throughput calculations based on the small set of ordered structures method for non-equimolar high entropy alloys
Computational Materials Science · 2020
V. Sorkin, Teck Leong Tan, Zhi Gen Yu, Yong‐Wei Zhang
Read original paper ↗ ·Can we predict materials that can be synthesised?
Chemical Science · 2020
Filip Szczypiński, Steven Bennett, Kim E. Jelfs
Read original paper ↗ ·Solution Combustion Synthesis of Transparent Conducting Thin Films for Sustainable Photovoltaic Applications
Sustainability · 2020
Sana Ullah, Rita Branquinho, Tiago Mateus, Rodrigo Martins, Elvira M. C. Fortunato, Tahir Rasheed, Farooq Sher
Read original paper ↗ ·CRYSPNet: Crystal structure predictions via neural networks
Physical Review Materials · 2020
Haotong Liang, Valentin Stanev, A. Gilad Kusne, Ichiro Takeuchi
Read original paper ↗ ·Application of Multiscale Mechanics Methods in Structural Integrity Analysis
Journal of Mechanical Engineering · 2021
Sun Ligang, Chao Ling, Hao Chen, Dongfeng Li
Read original paper ↗ ·Bright aspects of defects and dark traits of dopants in the photoluminescence of Er 2 X 2 O 7 :Eu 3+ (X = Ti and Zr) pyrochlore: an insight using EXAFS, positron annihilation and DFT
Materials Advances · 2021
Santosh K. Gupta, Kathi Sudarshan, Paramananda Jena, P. S. Ghosh, Ashok Kumar Yadav, S. N. Jha, D. Bhattacharyya
Read original paper ↗ ·Engineering structure and functionalities of chemical vapor deposited photocatalytic titanium dioxide films through different types of precursors
CrystEngComm · 2021
Diane Samélor, Asiya E. Turgambaeva, Vladislav V. Krisyuk, Adeline Miquelot, Jérémy Cure, Sergey V. Sysoev, Sergey V. Trubin, Pavel Stabnikov, Jérôme Esvan, Vassilios Constandoudis, Constantin Vahlas
Read original paper ↗ ·Generative models for inverse design of inorganic solid materials
Journal of Materials Informatics · 2021
Litao Chen, Wentao Zhang, Zhiwei Nie, Shunning Li, Feng Ming Pan
Read original paper ↗ ·High-throughput design of magnetic materials
Technischen Universität Darmstadt · 2021
Hongbin Zhang
Read original paper ↗ ·Machine Learning Applications in Anti-cancer Drug Discovery
EAI/Springer Innovations in Communication and Computing · 2021
Aman Sharma, Rinkle Rani
Read original paper ↗ ·Molecular Simulation and Statistical Learning Methods toward Predicting Drug–Polymer Amorphous Solid Dispersion Miscibility, Stability, and Formulation Design
Molecules · 2021
Daniel M. Walden, Yogesh Bundey, Aditya Jagarapu, Victor G. Antontsev, Kaushik Chakravarty, Jyotika Varshney
Read original paper ↗ ·Impact of noble-gas filler atoms on the lattice thermal conductivity of CoSb 3 skutterudites: first-principles modelling
Journal of Physics Condensed Matter · 2021
Jianqin Tang, Jonathan Michael Skelton
Read original paper ↗ ·How the Shape of Chemical Data Can Enable Data-Driven Materials Discovery
Trends in Chemistry · 2021
Jacqueline M. Cole
Read original paper ↗ ·Opportunities and challenges of text mining in materials research
iScience · 2021
Olga Kononova, Tanjin He, Haoyan Huo, Amalie Trewartha, Elsa Olivetti, Gerbrand Ceder
Read original paper ↗ ·Polymorphism in Post-Dichalcogenide Two-Dimensional Materials
Chemical Reviews · 2021
Hadallia Bergeron, Dmitry Lebedev, Mark C. Hersam
Read original paper ↗ ·Reducing Time to Discovery: Materials and Molecular Modeling, Imaging, Informatics, and Integration
ACS Nano · 2021
Seungbum Hong, Chi Hao Liow, Jong Min Yuk, Hye Ryung Byon, Yongsoo Yang, EunAe Cho, Jiwon Yeom, Gun Park, Hyeonmuk Kang, Seung-Gu Kim, Yoonsu Shim, Moony Na, Chaehwa Jeong, Gyuseong Hwang, Hongjun Kim, Hoon Kim, Seongmun Eom, Seongwoo Cho, Hosun Jun, Yongju Lee, Arthur Baucour, Kihoon Bang, Myungjoon Kim, Seokjung Yun, Jeongjae Ryu, Youngjoon Han, Albina Jetybayeva, Pyuck‐Pa Choi, Joshua Agar, Sergei V. Kalinin, Peter W. Voorhees, P. B. Littlewood, Hyuck Mo Lee
Read original paper ↗ ·Thermal Transport in Polymers: A Review
ASME Journal of Heat and Mass Transfer · 2021
Xingfei Wei, Zhi Wang, Zhiting Tian, Tengfei Luo
Read original paper ↗ ·The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites
Advanced Energy Materials · 2021
Carolin M. Sutter‐Fella
Read original paper ↗ ·Rapid Recombination by Cadmium Vacancies in CdTe
ACS Energy Letters · 2021
Seán R. Kavanagh, Aron Walsh, David O. Scanlon
Read original paper ↗ ·A hybrid virtual–boundary element formulation for heterogeneous materials
International Journal of Mechanical Sciences · 2021
Marco Lo Cascio, Alberto Milazzo, Ivano Benedetti
Read original paper ↗ ·Combinatorial Materials Design Approach to Investigate Adhesion Layer Chemistry for Optimal Interfacial Adhesion Strength
Crystals · 2021
Rachel L. Schoeppner, Barbara Pütz, Aidan Arthur Taylor, László Pethő, Keith Thomas, Olivier Antonin, Thomas Nelis, Johann Michler
Read original paper ↗ ·Chalcogenide perovskites for photovoltaics: current status and prospects
Journal of Physics Energy · 2021
Devendra Tiwari, Oliver S. Hutter, Giulia Longo
Read original paper ↗ ·Theoretical Prediction of Two-Dimensional Materials, Behavior, and Properties
ACS Nano · 2021
Evgeni S. Penev, Nicola Marzari, Boris I. Yakobson
Read original paper ↗ ·Materials graph ontology
Materials Letters · 2021
Sven P. Voigt, Surya R. Kalidindi
Read original paper ↗ ·What's Left for a Computational Chemist To Do in the Age of Machine Learning?
Israel Journal of Chemistry · 2021
Heather J. Kulik
Read original paper ↗ ·Transparent Conducting Electrodes for Optoelectronic Devices: State-of-the-art and Perspectives
Materials research foundations · 2021
Abhijit Ray
Read original paper ↗ ·A NEA review on innovative structural materials solutions, including advanced manufacturing processes for nuclear applications based on technology readiness assessment
Nuclear Materials and Energy · 2021
Fanny Balbaud, C. Cabet, S.M. Cornet, Yong Bing Dai, Jian Gan, Mercedes Hernández-Mayoral, Rebeca Hernández, A. Jianu, L. Malerba, S.A. Maloy, Thomas James Marrow, Satoshi Ohtsuka, N. Okubo, M.A. Pouchon, Athina Puype, E. Stergar, Marta Serrano, Dmitry A. Terentyev, Y.G. Wang, A. Weisenburger
Read original paper ↗ ·Simplifying inverse materials design problems for fixed lattices with alchemical chirality
Science Advances · 2021
Guido Falk von Rudorff, O. Anatole von Lilienfeld
Read original paper ↗ ·ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
ChemRxiv · 2021
Adarsh V. Kalikadien, Evgeny A. Pidko, Vivek Sinha
Read original paper ↗ ·Materials Representation and Transfer Learning for Multi-Property Prediction
ChemRxiv · 2021
Shufeng Kong, Dan Guevarra, Carla Pedro Gomes, John M. Gregoire
Read original paper ↗ ·Materials representation and transfer learning for multi-property prediction
Applied Physics Reviews · 2021
Shufeng Kong, Dan Guevarra, Carla Pedro Gomes, John M. Gregoire
Read original paper ↗ ·Benchmarking graph neural networks for materials chemistry
npj Computational Materials · 2021
Victor Fung, Jiaxin Zhang, Eric Juarez, Bobby G. Sumpter
Read original paper ↗ ·Concurrent goal-oriented materials-by-design
arXiv (Cornell University) · 2021
Xingsheng Sun, Burigede Liu, Kaushik Bhattacharya, M. Ortíz
Read original paper ↗ ·Characterization of microscopic deformation of materials using deep learning algorithms
Materials & Design · 2021
Kavindu Wijesinghe, Janith C. Wanni, Natasha Kholgade Banerjee, Sean K. Banerjee, Ajit Achuthan
Read original paper ↗ ·Predictive Synthesis
Chemistry of Materials · 2021
Kirill A. Kovnir
Read original paper ↗ ·