Papers citing The 2019 materials by design roadmap
Integrated computational materials engineering for advanced materials: A brief review
Computational Materials Science · 2018
William Yi Wang, Jinshan Li, Weimin Liu, Zi‐Kui Liu
Read original paper ↗ ·The promise of artificial intelligence in chemical engineering: Is it here, finally?
AIChE Journal · 2018
Venkat Venkatasubramanian
Read original paper ↗ ·A methodological review on material growth and synthesis of solar-driven water splitting photoelectrochemical cells
RSC Advances · 2019
Kwangwook Park, Yeong Jae Kim, Taeho Yoon, Selvaraj David, Young Min Song
Read original paper ↗ ·ABO 3 and A 1−x C x B 1−y D y (O 1−z E z ) 3 : review of experimental optimisation of thin film perovskites by high-throughput evaporative physical vapour deposition
Chemical Communications · 2019
Samuel Guerin, Brian E. Hayden
Read original paper ↗ ·Inertial effective mass as an effective descriptor for thermoelectrics via data-driven evaluation
Journal of Materials Chemistry A · 2019
Ady Suwardi, Daniil Bash, Hong Kuan Ng, Jose Recatala‐Gomez, D. V. Maheswar Repaka, Pawan Kumar, Kedar Hippalgaonkar
Read original paper ↗ ·Making Machine Learning Work in Chemistry: Methodological Innovation, Software Development, and Application Studies
Venue not supplied by source · 2019
Mojtaba Haghighatlari
Read original paper ↗ ·Nanoinformatics, and the big challenges for the science of small things
Nanoscale · 2019
Amanda Susan Barnard, Benyamin Motevalli, Amanda J. Parker, Julia Melisande Theresa Agatha Fischer, Christopher A. Feigl, George Opletal
Read original paper ↗ ·Progress and prospects for accelerating materials science with automated and autonomous workflows
Chemical Science · 2019
Helge Sören Stein, John M. Gregoire
Read original paper ↗ ·Symmetry based molecular design for triplet excitation and optical spin injection
Physical Chemistry Chemical Physics · 2019
Anna A. Szumska, Henning Sirringhaus, Jenny Nelson
Read original paper ↗ ·Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:O
Advanced Materials · 2019
Jie Pan, Jacob J. Cordell, Garritt J. Tucker, Adele C. Tamboli, Andriy Zakutayev, Stephan Lany
Read original paper ↗ ·Accessing Metastability in Heterostructural Semiconductor Alloys
physica status solidi (a) · 2019
Sebastian Siol
Read original paper ↗ ·Advances of machine learning in molecular modeling and simulation
Current Opinion in Chemical Engineering · 2019
Mojtaba Haghighatlari, Johannes Hachmann
Read original paper ↗ ·Analyzing machine learning models to accelerate generation of fundamental materials insights
npj Computational Materials · 2019
Mitsutaro Umehara, Helge Sören Stein, Dan Guevarra, Paul F. Newhouse, David A. Boyd, John M. Gregoire
Read original paper ↗ ·Factors Controlling Open-Circuit Voltage Losses in Organic Solar Cells
Trends in Chemistry · 2019
Mohammed Azzouzi, Thomas Kirchartz, Jenny Nelson
Read original paper ↗ ·Finding the needle in the haystack: Materials discovery and design through computational ab initio high-throughput screening
Computational Materials Science · 2019
Geoffroy Hautier
Read original paper ↗ ·Automated estimation of materials parameter from X-ray absorption and electron energy-loss spectra with similarity measures
npj Computational Materials · 2019
Yuta Suzuki, Hideitsu Hino, Masato Kotsugi, Kanta Ono
Read original paper ↗ ·Multiscale modelling of photoinduced processes in composite systems
Nature Reviews Chemistry · 2019
Benedetta Mennucci, Stefano Corni
Read original paper ↗ ·Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia
ACS Applied Materials & Interfaces · 2019
Rohit Batra, Ghanshyam Pilania, Blas Pedro Uberuaga, Rampi Ramprasad
Read original paper ↗ ·Toward Design of Novel Materials for Organic Electronics
Advanced Materials · 2019
Pascal Friederich, Artem Fediai, Simon Kaiser, Manuel Konrad, Nicole Jung, Wolfgang Wenzel
Read original paper ↗ ·Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries
ACS Applied Materials & Interfaces · 2019
Rajendra Prasad Joshi, Jesse Eickholt, Liling Li, Marco Fornari, Verónica Barone, Juan E. Peralta
Read original paper ↗ ·Network analysis of synthesizable materials discovery
Nature Communications · 2019
Muratahan Aykol, Vinay I. Hegde, Linda Hung, Santosh K. Suram, Patrick K. Herring, Chris M. Wolverton, Jens S. Hummelshøj
Read original paper ↗ ·Completing the picture through correlative characterization
Nature Materials · 2019
Timothy L. Burnett, Philip John Withers
Read original paper ↗ ·A perspective on inverse design of battery interphases using multi-scale modelling, experiments and generative deep learning
Energy storage materials · 2019
Arghya Bhowmik, Ivano E. Castelli, Juan María García-Lastra, Peter Bjørn Jørgensen, Ole Winther, Tejs Vegge
Read original paper ↗ ·Thin-Film Processing Routes for Combinatorial Materials Investigations—A Review
ACS Combinatorial Science · 2019
Paul J. McGinn
Read original paper ↗ ·Symbolic regression in materials science
MRS Communications · 2019
Yiqun Wang, Nicholas Wagner, James M. Rondinelli
Read original paper ↗ ·Status of materials and device modelling for kesterite solar cells
Journal of Physics Energy · 2019
Samantha N. Hood, Aron Walsh, Clas Persson, Konstantina Iordanidou, Dan Ding Huang, Mukesh Kumar, Zacharie Jehl Li‐Kao, Maykel Courel, Johan Lauwaert, Sanghyun Lee
Read original paper ↗ ·Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods
npj Computational Materials · 2019
Alfred Ludwig
Read original paper ↗ ·Multi-component background learning automates signal detection for spectroscopic data
npj Computational Materials · 2019
Sebastian Ament, Helge Sören Stein, Dan Guevarra, Lan Zhou, Joel A. Haber, David A. Boyd, Mitsutaro Umehara, John M. Gregoire, Carla Pedro Gomes
Read original paper ↗ ·Exchange bias and large room temperature magnetoresistance in ion beam-synthesized Co nanoparticles in SiO2
Emergent Materials · 2019
Jérôme Leveneur, Grant V M Williams, David R. G. Mitchell, John Vedamuthu Kennedy
Read original paper ↗ ·Tracking materials science data lineage to manage millions of materials experiments and analyses
npj Computational Materials · 2019
Edwin Soedarmadji, Helge Sören Stein, Santosh K. Suram, Dan Guevarra, John M. Gregoire
Read original paper ↗ ·Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs
Angewandte Chemie International Edition · 2019
Volodymyr Gvozdetskyi, Gourab Bhaskar, Maria Batuk, Xin Zhao, Renhai Wang, Scott L. Carnahan, Michael P. Hanrahan, Raquel A. Ribeiro, Paul C. Canfield, Aaron J. Rossini, Cai‐Zhuang Wang, Kai‐Ming Ho, Joke Hadermann, Julia V. Zaikina
Read original paper ↗ ·Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs
Angewandte Chemie · 2019
Volodymyr Gvozdetskyi, Gourab Bhaskar, Maria Batuk, Xin Zhao, Renhai Wang, Scott L. Carnahan, Michael P. Hanrahan, Raquel A. Ribeiro, Paul C. Canfield, Aaron J. Rossini, Cai‐Zhuang Wang, Kai‐Ming Ho, Joke Hadermann, Julia V. Zaikina
Read original paper ↗ ·The GIPAW approach for the study of local structures and the electric field gradients at Cd and Ta impurity sites. Application to doped yttria ceramics
Computational Materials Science · 2019
D. Richard, Arles Victor Gil Rebaza
Read original paper ↗ ·An informatics software stack for point defect-derived opto-electronic properties: the Asphalt Project
MRS Communications · 2019
Jonathon N. Baker, Preston C. Bowes, Joshua S. Harris, Douglas L. Irving
Read original paper ↗ ·Data‐Driven Materials Science: Status, Challenges, and Perspectives
Advanced Science · 2019
Lauri Himanen, Amber Geurts, Adam Stuart Foster, Patrick Rinke
Read original paper ↗ ·Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals
New Journal of Physics · 2019
Nathaniel Raimbault, Andrea Grisafi, Michele Ceriotti, Mariana Rossi
Read original paper ↗ ·Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
The Journal of Chemical Physics · 2019
Collin F. Perkinson, Daniel P. Tabor, Markus Einzinger, Dennis Sheberla, Hendrik Utzat, Ting‐An Lin, Daniel N. Congreve, Moungi G. Bawendi, Alán Aspuru‐Guzik, Marc A. Baldo
Read original paper ↗ ·Autonome Entdeckung in den chemischen Wissenschaften, Teil II: Ausblick
Angewandte Chemie · 2019
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Autonomous Discovery in the Chemical Sciences Part II: Outlook
Angewandte Chemie International Edition · 2019
Connor W. Coley, Natalie S. Eyke, Klavs F. Jensen
Read original paper ↗ ·Materials property prediction using symmetry-labeled graphs as atomic position independent descriptors
Physical review. B./Physical review. B · 2019
Peter Bjørn Jørgensen, Estefanía Garijo del Río, Mikkel Nørgaard Schmidt, Karsten W. Jacobsen
Read original paper ↗ ·Quantum Materials with Atomic Precision: Artificial Atoms in Solids: Ab Initio Design, Control, and Integration of Single Photon Emitters in Artificial Quantum Materials
Advanced Functional Materials · 2019
Prineha Narang, Christopher J. Ciccarino, Johannes Flick, Dirk Englund
Read original paper ↗ ·From NaZn4Sb3 to HT-Na1–xZn4–ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties
Chemistry of Materials · 2019
Volodymyr Gvozdetskyi, Bryan Owens‐Baird, Sangki Hong, Tori Cox, Gourab Bhaskar, Colin P. Harmer, Yang Sun, Feng Zhang, Cai‐Zhuang Wang, Kai‐Ming Ho, Julia V. Zaikina
Read original paper ↗ ·Review of high-throughput approaches to search for piezoelectric nitrides
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 2019
Kevin R. Talley, Rachel Sherbondy, Andriy Zakutayev, Geoff L. Brennecka
Read original paper ↗ ·Learning acoustic emission signatures from a nanoindentation-based lithography process: Towards rapid microstructure characterization
Tribology International · 2019
Ashif Sikandar Iquebal, Shirish Pandagare, Satish Bukkapatnam
Read original paper ↗ ·The Materials Research Platform: Defining the Requirements from User Stories
Matter · 2019
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 ↗ ·High-throughput fabrication and semi-automated characterization of oxide thin film transistors
Chinese Physics B · 2019
Yanbing Han, Sage R. Bauers, Qun Zhang, Andriy Zakutayev
Read original paper ↗ ·Towards rapid, in situ characterization for materials-on-demand manufacturing
Manufacturing Letters · 2019
Ashif Sikandar Iquebal, Bhaskar Botcha, Satish Bukkapatnam
Read original paper ↗ ·Coordinated Optical Matching of a Texture Interface Made from Demixing Blended Polymers for High-Performance Inverted Perovskite Solar Cells
ACS Nano · 2019
Cunyun Xu, Wei Hui Hu, Gang Wang, Lianbin Niu, Ahmed Mourtada Elseman, Liping Liao, Yanqing Yao, Gaobo Xu, Lie Luo, Debei Liu, Guangdong Zhou, Ping Li, Qunliang Song
Read original paper ↗ ·Practical challenges in the development of photoelectrochemical solar fuels production
Sustainable Energy & Fuels · 2019
Mark T. Spitler, Miguel Antonio Modestino, Todd Gregory Deutsch, Chengxiang Xiang, James Robert Durrant, Daniel V. Esposito, Sophia Haussener, Stephen Maldonado, Ian D. Sharp, Bruce Alan Parkinson, David S. Ginley, Frances A. Houle, Thomas Hannappel, Nathan R. Neale, Daniel G. Nocera, Paul C. McIntyre
Read original paper ↗ ·New Family of Anisotropic Zinc-Based Semiconductors in a Shallow Energy Landscape
Chemistry of Materials · 2019
Ankita Bhutani, Xiao Zhang, Piush Behera, Rangarajan Thiruvengadam, Shannon E. Murray, André Schleife, Daniel P. Shoemaker
Read original paper ↗ ·