S. Curtarolo

Most-cited papers

High-entropy ceramics
C. Oses, C. Toher, S. Curtarolo
2020Nature Reviews Materials1,665 citations
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High-entropy high-hardness metal carbides discovered by entropy descriptors
Pranab Sarker, T. Harrington, C. Toher, C. Oses +5 more
2018Nature Communications952 citations Open access
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Phase stability and mechanical properties of novel high entropy transition metal carbides
T. Harrington, Joshua Gild, Pranab Sarker, C. Toher +11 more
2019Acta Materialia649 citations Open access
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Machine learning for alloys
G. Hart, Tim Mueller, C. Toher, S. Curtarolo
2021Nature Reviews Materials636 citations
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SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates
Runhai Ouyang, S. Curtarolo, Emre Ahmetcik, M. Scheffler +1 more
2017PHYSICAL REVIEW MATERIALS621 citations Open access
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QSAR without borders
E. Muratov, J. Bajorath, R. Sheridan, I. Tetko +15 more
2020Chemical Society Reviews599 citations Open access
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Materials design for hypersonics
A. Peters, Da-Jie Zhang, Samuel Chen, Catherine Ott +5 more
2023Nature Communications423 citations Open access
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Discovery of high-entropy ceramics via machine learning
Kevin Kaufmann, Daniel Maryanovsky, William M. Mellor, Chao-Yi Zhu +6 more
2020npj Computational Materials239 citations Open access
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Predicting synthesizability
K. Alberi, M. Nardelli, A. Zakutayev, L. Mitas +30 more
2018Journal of Physics D: Applied Physics188 citations Open access
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The AFLOW Library of Crystallographic Prototypes: Part 2
David Hicks, M. Mehl, Eric Gossett, C. Toher +4 more
2018Computational materials science186 citations Open access
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Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy
Qi-Jun Hong, J. Schroers, D. Hofmann, S. Curtarolo +2 more
2021npj Computational Materials182 citations Open access
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Roadmap on Machine learning in electronic structure
H. Kulik, T. Hammerschmidt, Jonathan Schmidt, S. Botti +43 more
2022Electronic Structure173 citations Open access
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OPTIMADE, an API for exchanging materials data
C. Andersen, R. Armiento, Evgeny Blokhin, G. Conduit +52 more
2021Scientific Data128 citations Open access
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PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the Projections of electronic wavefunctions on Atomic Orbital bases (PAO), including characterization of topological materials
M. Nardelli, F. Cerasoli, Marcio Costa, S. Curtarolo +5 more
2018121 citations Open access
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Predicting superhard materials via a machine learning informed evolutionary structure search
Patrick Avery, Xiao-Yu Wang, C. Oses, Eric Gossett +4 more
2019npj Computational Materials112 citations Open access
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Unavoidable disorder and entropy in multi-component systems
C. Toher, C. Oses, David Hicks, S. Curtarolo
2019npj Computational Materials112 citations Open access
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AFLOW-ML: A RESTful API for machine-learning predictions of materials properties
Eric Gossett, C. Toher, C. Oses, O. Isayev +7 more
2017Computational materials science108 citations Open access
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AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis
C. Oses, Eric Gossett, David Hicks, F. Rose +9 more
2018Journal of Chemical Information and Modeling94 citations Open access
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Entropy Landscaping of High‐Entropy Carbides
M. D. Hossain, T. Borman, C. Oses, M. Esters +8 more
2021Advances in Materials89 citations
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Settling the matter of the role of vibrations in the stability of high-entropy carbides
M. Esters, C. Oses, David Hicks, M. Mehl +6 more
2021Nature Communications66 citations Open access
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High-entropy ceramics: Propelling applications through disorder
C. Toher, C. Oses, M. Esters, David Hicks +5 more
2021MRS bulletin66 citations
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Data-Driven Quest for Two-Dimensional Non-van der Waals Materials.
Rico Friedrich, M. Ghorbani-Asl, S. Curtarolo, A. Krasheninnikov
2021Nano letters (Print)65 citations Open access
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Carbon Stoichiometry and Mechanical Properties of High Entropy Carbide
M. D. Hossain, T. Borman, A. Kumar, X. Chen +10 more
2020Social Science Research Network65 citations
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AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.
David Hicks, C. Oses, Eric Gossett, Geena Gomez +5 more
2018Acta Crystallographica Section A: Foundations and Advances62 citations Open access
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Plasmonic high-entropy carbides
A. Calzolari, C. Oses, C. Toher, M. Esters +4 more
2022Nature Communications59 citations Open access
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AFLOW-XtalFinder: a reliable choice to identify crystalline prototype
David Hicks, C. Toher, D. Ford, F. Rose +4 more
2020npj Computational Materials58 citations Open access
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aflow.org: A Web Ecosystem of Databases, Software and Tools
M. Esters, C. Oses, Simon Divilov, Hagen Eckert +9 more
2022Computational materials science57 citations Open access
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Shared metadata for data-centric materials science
L. Ghiringhelli, Carsten Baldauf, Tristan Bereau, S. Brockhauser +31 more
2022Scientific Data57 citations Open access
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Coordination corrected ab initio formation enthalpies
Rico Friedrich, D. Usanmaz, C. Oses, Andrew R. Supka +4 more
2018npj Computational Materials57 citations Open access
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Advanced modeling of materials with PAOFLOW 2.0: New features and software design
F. Cerasoli, Andrew R. Supka, A. Jayaraj, Marcio Costa +6 more
2021Computational materials science55 citations Open access
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Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe
Haihang Wang, P. Gopal, S. Picozzi, S. Curtarolo +2 more
2019npj Computational Materials49 citations Open access
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Boro/carbothermal Reduction Co-synthesis of Dual-phase High-entropy Boride-carbide Ceramics
Lun Feng, W. Fahrenholtz, G. Hilmas, S. Curtarolo
2022Journal of the European Ceramic Society48 citations Open access
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XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction
Patrick Avery, C. Toher, S. Curtarolo, E. Zurek
2019Computer Physics Communications47 citations Open access
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Giant spin Hall effect in two-dimensional monochalcogenides
J. Sławińska, F. Cerasoli, Haihang Wang, S. Postorino +4 more
20182D Materials47 citations Open access
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Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery
C. Oses, C. Toher, S. Curtarolo
2018MRS bulletin45 citations
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aflow++: A C++ framework for autonomous materials design
C. Oses, M. Esters, David Hicks, Simon Divilov +16 more
2022Computational materials science44 citations Open access
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Ultrathin SnTe films as a route towards all-in-one spintronics devices
Jagoda Sławińska, F. Cerasoli, P. Gopal, Marcio Costa +2 more
20192D Materials39 citations Open access
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Enhancing ductility in bulk metallic glasses by straining during cooling
Rodrigo Miguel Ojeda Mota, E. Lund, S. Sohn, D. Browne +4 more
2021Communications Materials32 citations Open access
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Metallic glasses for biodegradable implants
D. Ford, David Hicks, C. Oses, C. Toher +1 more
2019Acta Materialia32 citations Open access
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Carbon stoichiometry and mechanical properties of high entropy carbides
M. D. Hossain, T. Borman, Abinash Kumar, Xi Chen +10 more
2021Acta Materialia22 citations Open access
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Parametrically constrained geometry relaxations for high-throughput materials science
M. Lenz, Thomas A. R. Purcell, David Hicks, S. Curtarolo +2 more
2019npj Computational Materials18 citations Open access
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Vibrational Properties of Metastable Polymorph Structures by Machine Learning
F. Legrain, A. van Roekeghem, S. Curtarolo, J. Carrete +2 more
2018Journal of Chemical Information and Modeling18 citations Open access
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The Maximum Edge Weight Clique Problem: Formulations and Solution Approaches
S. Hosseinian, D. Fontes, S. Butenko, M. Nardelli +2 more
201717 citations
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Design rules for the thermal and elastic properties of rare-earth disilicates
C. Toher, M. Ridley, K. Tomko, D. Olson +3 more
2023Materialia15 citations Open access
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Correction: QSAR without borders.
E. Muratov, J. Bajorath, R. Sheridan, I. Tetko +15 more
2020Chemical Society Reviews15 citations Open access
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High-throughput study of the static dielectric constant at high temperatures in oxide and fluoride cubic perovskites
A. van Roekeghem, J. Carrete, S. Curtarolo, N. Mingo
2018PHYSICAL REVIEW MATERIALS15 citations Open access
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Mechanical Properties of Chemically Modified Clay
M. Gusmão, P. Gopal, I. Siloi, S. Curtarolo +2 more
2019Scientific Reports14 citations Open access
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The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.
Xiao-Yu Wang, D. Proserpio, C. Oses, C. Toher +2 more
2022Angewandte Chemie13 citations Open access
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Automated coordination corrected enthalpies with AFLOW-CCE
Rico Friedrich, M. Esters, C. Oses, S. Ki +5 more
202112 citations Open access
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Bayesian active machine learning for Cluster expansion construction
Hantong Chen, Sayan Samanta, Siya Zhu, Hagen Eckert +3 more
2024Computational materials science11 citations Open access
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