Stefano Curtarolo
- High-entropy ceramics
2020/02/12 by Corey Oses, Cormac Toher, Stefano Curtarolo · 19 citations
Engineering · #High Entropy Alloys Studies #High-Temperature Coating Behaviors #Metal and Thin Film Mechanics
- The AFLOW Standard for High-Throughput Materials Science Calculations
2015/05/31 by Camilo E. Calderón, Calderon, Camilo E., José J. Plata +19 · 8 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalytic Processes in Materials Science #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- The AFLOW Library of Crystallographic Prototypes: Part 2
2018/06/20 by David Hicks, Hicks, David, Michael J. Mehl +13 · 4 citations
Engineering · Materials Science · #Crystallization and Solubility Studies #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Surface Chemistry and Catalysis
- Predicting Superhard Materials via a Machine Learning Informed\n Evolutionary Structure Search
2019/06/13 by Patrick Avery, Avery, Patrick, Xiaoyu Wang +13 · 4 citations
Engineering · Materials Science · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Metal and Thin Film Mechanics
- Coordination corrected ab initio formation enthalpies
2018/11/21 by Rico Friedrich, Friedrich, Rico, Demet Usanmaz +13 · 3 citations
Chemistry · Materials Science · #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Advanced modeling of materials with PAOFLOW 2.0: New features and\n software design
2021/07/27 by Frank Cerasoli, Cerasoli, Frank T., Andrew Supka +17 · 4 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Molecular Junctions and Nanostructures
- Materials Design for Hypersonics
2023/09/08 by Adam B. Peters, Dajie Zhang, Peters, Adam B. +15 · 3 citations
Engineering · Materials Science · #Energetic Materials and Combustion #FOS: Physical sciences #High-Velocity Impact and Material Behavior #Materials Science (cond-mat.mtrl-sci) #Rocket and propulsion systems research
- Improved predictions of the physical properties of Zn- and Cd-based wide\n band-gap semiconductors: a validation of the ACBN0 functional
2015/05/20 by Priya Gopal, Gopal, Priya, Marco Fornari +9 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices #Surface and Thin Film Phenomena
- High-Throughput Prediction of Finite-Temperature Properties using the\n Quasi-Harmonic Approximation
2016/03/22 by Pinku Nath, José J. Plata, Nath, Pinku +13 · 1 citation
Materials Science · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Thermal properties of materials #X-ray Diffraction in Crystallography
- How the Chemical Composition Alone Can Predict Vibrational Free Energies\n and Entropies of Solids
2017/03/07 by Fleur Legrain, Jesús Carrete, Legrain, Fleur +7 · 1 citation
Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #Crystallography and molecular interactions #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- AFLOW-ML: A RESTful API for machine-learning predictions of materials\n properties
2017/11/29 by Eric Gossett, Cormac Toher, Gossett, Eric +19 · 1 citation
Materials Science · #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Parametrically Constrained Geometry Relaxations for High-Throughput\n Materials Science
2019/08/05 by Maja-Olivia Lenz, Thomas A. R. Purcell, Lenz, Maja-Olivia +9 · 1 citation
Chemistry · Materials Science · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Shared Metadata for Data-Centric Materials Science
2022/05/29 by Luca M. Ghiringhelli, Ghiringhelli, Luca M., Carsten Baldauf +67 · 1 citation
Computer Science · Decision Sciences · #Data Quality and Management #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Research Data Management Practices #Scientific Computing and Data Management
- AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
2018/06/18 by Corey Oses, Oses, Corey, Eric Gossett +23 · 1 citation
Chemistry · Materials Science · #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- The structure and composition statistics of 6A binary and ternary crystalline materials
2017/03/13 by Alon Hever, Corey Oses, Hever, Alon +7 · 1 citation
Chemistry · Engineering · Materials Science · #FOS: Physical sciences #Inorganic Chemistry and Materials #Intermetallics and Advanced Alloy Properties #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography