Papers citing The 2019 materials by design roadmap
A combinatorial guide to phase formation and surface passivation of tungsten titanium oxide prepared by thermal oxidation
Acta Materialia · 2019-12-19
Sebastian Siol, Noémie Ott, Casey E. Beall, Michael Stiefel, Yeliz Unutulmazsoy, M. Döbeli, S. David Tilley, Patrik Schmutz, Lars P. H. Jeurgens, Claudia Cancellieri
Read original paper ↗ ·Examination of high-throughput hybrid calculations using coarser reciprocal space meshes
Current Applied Physics · 2019-12-28
Ji‐Sang Park
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 ↗ ·Database-Driven High-Throughput Calculations and Machine Learning Models for Materials Design
Lecture notes in physics · 2020-01-01
Rickard Armiento
Read original paper ↗ ·High-throughput computational screening for solid-state Li-ion conductors
Energy & Environmental Science · 2020-01-01
Leonid Kahle, Aris Marcolongo, Nicola Marzari
Read original paper ↗ ·Machine-enabled inverse design of inorganic solid materials: promises and challenges
Chemical Science · 2020-01-01
Juhwan Noh, Geun Ho Gu, Sungwon Kim, Yousung Jung
Read original paper ↗ ·Machine-learning-assisted search for functional materials over extended chemical space
Materials Horizons · 2020-01-01
Vadim Korolev, Artem A. Mitrofanov, Artem A. Eliseev, Valery Tkachenko
Read original paper ↗ ·New Materials in Architecture: A Pedagogical Approach to Materials by Design
Unknown journal · 2020-01-01
Joshua Draper, Daniel Rosenberg, Alexandros Tsamis
Read original paper ↗ ·Recent advances in bioelectronics chemistry
Chemical Society Reviews · 2020-01-01
Yin Fang, Lingyuan Meng, Aleksander Promiński, Erik N. Schaumann, Matthew Seebald, Bozhi Tian
Read original paper ↗ ·The uncertainty pyramid for electronic-structure methods
Elsevier eBooks · 2020-01-01
Kurt Lejaeghere
Read original paper ↗ ·Toward Rigorous Materials Production: New Approach Methodologies Have Extensive Potential to Improve Current Safety Assessment Practices
Small · 2020-01-08
Penny E. H. Nymark, Martine I Bakker, Susan Dekkers, Remy Franken, Wouter Fransman, Amaia García‐Bilbao, Dario Greco, Mary Gulumian, Niels Hadrup, Sabina S. Halappanavar, Vesa Hongisto, Karin Sørig Hougaard, Keld Alstrup Jensen, Pekka J. Kohonen, Antti Joonas Koivisto, Miikka Dal Maso, Thies Oosterwijk, Mikko Poikkimäki, Isabel Rodríguez-Llopis, Rob H. Stierum, Jorid Birkelund Sørli, Roland Grafström
Read original paper ↗ ·Catalytic materials and chemistry development using a synergistic combination of machine learning and ab initio methods
Computational Materials Science · 2020-01-16
Nilesh Varadan Orupattur, Samir H. Mushrif, Vinay Prasad
Read original paper ↗ ·Machine learning and big scientific data
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2020-01-20
Tony Hey, Keith T. Butler, Samuel Jackson, Jeyan Thiyagalingam
Read original paper ↗ ·Origin of High Thermoelectric Performance in Earth-Abundant Phosphide–Tetrahedrite
ACS Applied Materials & Interfaces · 2020-01-29
Ady Suwardi, Lei Hu, Xizu Wang, Xian Yi Tan, D. V. Maheswar Repaka, Lai Mun Wong, Xiping Ni, Weng Heng Liew, Su Hui Lim, Qingyu Yan, Jianwei Xu, Yun Zheng, Kedar Hippalgaonkar
Read original paper ↗ ·Towards high-performance electrochemical thermal energy harvester based on ferrofluids
Applied Materials Today · 2020-02-07
Marianna Vasilakaki, I. Chikina, Valeri Shikin, Nikolaos Ntallis, Davide Peddis, Andrey A. Varlamov, K. N. Trohidou
Read original paper ↗ ·Effect of high oxygen deficiency in nano-confined bismuth sesquioxide
Journal of Physics Energy · 2020-02-20
Simone Sanna, Elisabetta Maria Fiordaliso, Takeshi Kasama, Ivano E. Castelli, Vincenzo Esposito
Read original paper ↗ ·A Design-to-Device Pipeline for Data-Driven Materials Discovery
Accounts of Chemical Research · 2020-02-25
Jacqueline M. Cole
Read original paper ↗ ·A microarray platform designed for high-throughput screening the reaction conditions for the synthesis of micro/nanosized biomedical materials
Bioactive Materials · 2020-02-25
Xiaoyu Li, Xiran Yang, Lei Liu, Peipei Zhou, Jianhua Zhou, Xuetao Shi, Yingjun Wang
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 ↗ ·Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation
Journal of Chemical Theory and Computation · 2020-03-02
WooSeok Jeong, Samuel J. Stoneburner, Daniel S. King, Ruye Li, Andrew Walker, Roland H. Lindh, Laura Gagliardi
Read original paper ↗ ·Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm
Journal of Applied Physics · 2020-03-02
Renhai Wang, Yang Sun, Volodymyr Gvozdetskyi, Xin Zhao, Feng Zhang, Linhan Xu, Julia V. Zaikina, Zijing Lin, Cai‐Zhuang Wang, Kai‐Ming Ho
Read original paper ↗ ·Methods for comparing uncertainty quantifications for material property predictions
Machine Learning Science and Technology · 2020-03-09
Kevin C Tran, Willie Neiswanger, Junwoong Yoon, Qingyang Zhang, Eric P. Xing, Zachary W. Ulissi
Read original paper ↗ ·Predicting structure zone diagrams for thin film synthesis by generative machine learning
Communications Materials · 2020-03-26
Lars Banko, Yury V. Lysogorskiy, Dario Grochla, Dennis Naujoks, Ralf Drautz, Alfred Ludwig
Read original paper ↗ ·Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: A review
International Journal of Hydrogen Energy · 2020-04-01
Alicia Bayón, Alberto de la Calle, Krishna Kamol Ghose, Alister J. Page, Robbie K. McNaughton
Read original paper ↗ ·Evolving the Materials Genome: How Machine Learning Is Fueling the Next Generation of Materials Discovery
Annual Review of Materials Research · 2020-04-21
Changwon Suh, Clyde Fare, James A. Warren, Edward O. Pyzer‐Knapp
Read original paper ↗ ·Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique
The Journal of Physical Chemistry Letters · 2020-04-24
Qionghua Zhou, Shuaihua Lu, Yilei Wu, Jinlan Wang
Read original paper ↗ ·Combinatorial Synthesis of Oxysulfides in the Lanthanum–Bismuth-Copper System
ACS Combinatorial Science · 2020-04-30
Mitsutaro Umehara, Lan Zhou, Joel A. Haber, Dan Guevarra, Kevin Kan, Paul F. Newhouse, John M. Gregoire
Read original paper ↗ ·Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors
ACS Energy Letters · 2020-04-30
Rekha R. Schnepf, Jacob J. Cordell, M. Brooks Tellekamp, Celeste L. Melamed, Ann L. Greenaway, Allison V. Mis, Geoff L. Brennecka, Steven T. Christensen, Garritt J. Tucker, Eric S. Toberer, Stephan Lany, Adele C. Tamboli
Read original paper ↗ ·Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn–Sham Orbitals for Predicting the Properties of Semiconductors
Journal of Chemical Theory and Computation · 2020-05-05
Jonathan Michael Skelton, David S. D. Gunn, Sebastian Metz, Stephen C. Parker
Read original paper ↗ ·On the Dopability of Semiconductors and Governing Material Properties
Chemistry of Materials · 2020-05-06
Anuj Goyal, Prashun Gorai, Shashwat Anand, Eric S. Toberer, Gerald Jeffrey Snyder, Vladan Stevanović
Read original paper ↗ ·Opportunities and Challenges for Machine Learning in Materials Science
Annual Review of Materials Research · 2020-05-06
Dane Morgan, Ryan Jacobs
Read original paper ↗ ·Metastability at Defective Metal Oxide Interfaces and Nanoconfined Structures
Advanced Materials Interfaces · 2020-05-19
Vincenzo Esposito, Ivano E. Castelli
Read original paper ↗ ·Automated crystal structure analysis based on blackbox optimisation
npj Computational Materials · 2020-06-05
Yoshihiko Ozaki, Yuta Suzuki, Takafumi Hawai, Kotaro Saito, Masaki Onishi, Kanta Ono
Read original paper ↗ ·Exploring chemical compound space with quantum-based machine learning
Nature Reviews Chemistry · 2020-06-12
O. Anatole von Lilienfeld, Klaus‐Robert Müller, Alexandre Tkatchenko
Read original paper ↗ ·Machine-learning-assisted fabrication: Bayesian optimization of laser-induced graphene patterning using in-situ Raman analysis
Carbon · 2020-06-12
Hud Wahab, Vivek Jain, Alexander Scott Tyrrell, Michael Seas, Lars Kotthoff, Patrick Alfred Johnson
Read original paper ↗ ·Artificial Intelligence Applied to the Prediction of Organic Materials
Royal Society of Chemistry eBooks · 2020-07-15
Steven Bennett, Andrew Tarzia, Martijn A. Zwijnenburg, Kim E. Jelfs
Read original paper ↗ ·High-temperature conventional superconductivity in the boron-carbon system: Material trends
Physical review. B./Physical review. B · 2020-07-23
Santanu Saha, Simone Di Cataldo, Maximilian Amsler, Wolfgang von der Linden, Lilia Boeri
Read original paper ↗ ·A database of battery materials auto-generated using ChemDataExtractor
Scientific Data · 2020-08-06
Shu Huang, Jacqueline M. Cole
Read original paper ↗ ·Simplifying inverse material design problems for fixed lattices with alchemical chirality
arXiv (Cornell University) · 2020-08-06
Guido Falk von Rudorff, O. Anatole von Lilienfeld
Read original paper ↗ ·Searching for New Ferroelectric Materials Using High-Throughput Databases: An Experimental Perspective on BiAlO 3 and BiInO 3
Chemistry of Materials · 2020-08-07
Megha Acharya, Stephanie A. Mack, Abel N. Fernandez, Jieun Kim, Huaiyu Hugo Wang, Kazutaka Eriguchi, Derek J. Meyers, Venkatraman Gopalan, Jeffrey B. Neaton, Lane W. Martin
Read original paper ↗ ·Trigonal polymorph of Li2MnO3
Physical Review Materials · 2020-08-10
B. Xia, Jianli Cheng, M. Arengo, N. Rajput, Y. Janssen, James Richmond Neilson, Kristin Aslaug Persson, Jack W. Simonson
Read original paper ↗ ·Exploring the A2BX3 Family for New Functional Materials Using Crystallographic Database Mining and First-Principles Calculations
The Journal of Physical Chemistry C · 2020-08-12
Joseph W. Bennett
Read original paper ↗ ·Modelling and understanding battery materials with machine-learning-driven atomistic simulations
Journal of Physics Energy · 2020-08-17
Volker L. Deringer
Read original paper ↗ ·Augmenting machine learning of energy landscapes with local structural information
Journal of Applied Physics · 2020-08-26
Shreyas J. Honrao, Stephen Xie, Richard G. Hennig
Read original paper ↗ ·Artificial intelligence for photonics and photonic materials
Reports on Progress in Physics · 2020-09-02
Davide Piccinotti, Kevin F. MacDonald, Simon A. Gregory, Ian J. Youngs, Nikolay I. Zheludev
Read original paper ↗ ·Artificial intelligence-enabled smart mechanical metamaterials: advent and future trends
International Materials Reviews · 2020-09-08
Pengcheng Jiao, Amir H. Alavi
Read original paper ↗ ·Beyond Expectation: Advanced Materials Design, Synthesis, and Processing to Enable Novel Ferroelectric Properties and Applications
MRS Advances · 2020-09-08
Jieun Kim, Eduardo Lupi, David Pesquera, Megha Acharya, Wenbo Zhao, Gabriel A. P. Velarde, Sinéad M. Griffin, Lane W. Martin
Read original paper ↗ ·Progress in Modeling of Biomass Fast Pyrolysis: A Review
Energy & Fuels · 2020-09-11
Pavlo Kostetskyy, Linda J. Broadbelt
Read original paper ↗ ·Coupling physics in machine learning to predict properties of high-temperatures alloys
npj Computational Materials · 2020-09-18
Jian Peng, Yukinori Yamamoto, Jeffrey A. Hawk, Edgar Lara-Curzio, Dongwon Shin
Read original paper ↗ ·High-throughput design of magnetic materials
Electronic Structure · 2020-09-24
Hongbin Zhang
Read original paper ↗ ·