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Stefano Curtarolo

Duke University - Center for Autonomous Materials Design

SCHOLARLY PAPERS

4

DOWNLOADS

121

TOTAL CITATIONS

15

Scholarly Papers (4)

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1.

Special Glass Structures for First Principles Studies of Bulk Metallic Glasses

Number of pages: 22 Posted: 15 Jun 2023
Siya Zhu, Jan Schroers, Stefano Curtarolo, Hagen Eckert and Axel van de Walle
Texas A&M University - Department of Materials Science and Engineering, Yale University - Department of Mechanical Engineering and Materials Science, Duke University - Center for Autonomous Materials Design, Duke University - Center for Autonomous Materials Design and Brown University - School of Engineering
Downloads 75 (837,727)
Citation 15

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Metallic glass, First-principles calculations, Reverse Monte Carlo

2.

A Software Package for Generating Robust and Accurate Potentials Using the Moment Tensor Potential Framework

Number of pages: 12 Posted: 15 Jul 2025
Josiah Roberts, Eva Zurek, Biswas Rijal, Simon Divilov, Jon-Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner and Stefano Curtarolo
State University of New York (SUNY) - University at Buffalo, State University of New York (SUNY) - University at Buffalo, State University of New York (SUNY) - University at Buffalo, Duke University, Pennsylvania State University, Missouri University of Science and Technology, Pennsylvania State University, North Carolina State University and Duke University - Center for Autonomous Materials Design
Downloads 23 (1,411,822)

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machine learned interatomic potentials, workflow management, atomistic modelling, crystal structure prediction

3.

Composition/Structure Directed Search for New Chalcogenide Compounds

Number of pages: 12 Posted: 11 Mar 2026
Alon Hever, Ohad Levy, Stefano Curtarolo and Amir Natan
Tel Aviv University, Duke University, Duke University - Center for Autonomous Materials Design and Tel Aviv University
Downloads 18 (1,470,786)

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High-Throughput, Computational structure screening, DFT, Compound prediction, convex hull, chalcogenides binary alloys

4.

Eutectic Lamella Microstructure Observation in Group IV – Group V Pseudobinary Transition Metal Diborides

Number of pages: 23 Posted: 18 May 2026
Stuart C. Ness, Simon Divilov, Stefano Curtarolo and Scott J. McCormack
University of California, Davis, Duke University, Duke University - Center for Autonomous Materials Design and University of California, Davis - Department of Materials Science and Engineering
Downloads 5 (1,571,455)

Abstract:

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Eutectic Transformation, Diborides, Ultra-High Temperature Ceramics, Phase Diagrams