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Stefano Curtarolo

Edmund T. Pratt Jr. School Distinguished Professor of Mechanical Engineering and Materials Science
Thomas Lord Department of Mechanical Engineering and Materials Science
144 Hudson Hall, Box 90300, Durham, NC 27708-0300
144 Hudson Hall, Box 90300, Durham, NC 27708

Research Interests


Artificial Intelligence Materials Science; Autonomous Materials Design; Computational materials science; High-Entropy Disordered Systems; Materials for Energy Applications; Materials for Aerospace Applications. Prof. Curtarolo multidisciplinary research makes use of state-of-the-art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.

Selected Grants


Hyberbolic Plasmonic High-Entropy Carbo-nitrides

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2023 - 2026

NRT-HDR: Harnessing AI for Autonomous Material Design

Inst. Training Prgm or CMECo-Principal Investigator · Awarded by National Science Foundation · 2020 - 2025

SPICES: Spinodal-hardened high-entropy ceramics

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2021 - 2024

Autonomous materials discovery models and algorithms for the AFLOW framework and database

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2020 - 2024

Hyberbolic Plasmonic High-Entropy Carbo-nitrides

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2023 - 2026

NRT-HDR: Harnessing AI for Autonomous Material Design

Inst. Training Prgm or CMECo-Principal Investigator · Awarded by National Science Foundation · 2020 - 2025

SPICES: Spinodal-hardened high-entropy ceramics

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2021 - 2024

Autonomous materials discovery models and algorithms for the AFLOW framework and database

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2020 - 2024

Thermodynamics of polar materials: beyond the CCE methods

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2021 - 2022

Targeted search for ultra-hard carbo-nitrides using the AFLOW framework and database

EquipmentPrincipal Investigator · Awarded by Office of Naval Research · 2021 - 2022

The Science of Entropy Stabilized Ultra-High Temperature Materials

ResearchPrincipal Investigator · Awarded by North Carolina State University · 2015 - 2021

Development of Cloud-Oriented Materials Discovery Services (AFLOW-Cloud)

EquipmentPrincipal Investigator · Awarded by Office of Naval Research · 2020 - 2021

Materials-similarity metrics for the AFLOW data repository

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2018 - 2021

Synergetic Efforts in Automatic Accelerated Materials Design

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2016 - 2021

Automated Characterization of Chemical Bonding in Inorganic Crystals

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2018 - 2019

Disorder as the discovery enabler for transition-metal mixed-anion materials

ResearchCo-Principal Investigator · Awarded by Office of Naval Research · 2017 - 2019

High-throughput Prediction of High-pressure Materials Properties for the AFLOWLIB Database

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2016 - 2019

Topological decompositions and spectral sampling algorithms for element substitution in critical technologies

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2013 - 2019

DMREF: GOALI: Collaborative Research: High-Throughput Simulations and Experiments to Develop Metallic Glasses

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2014 - 2018

Reciprocating materials design with the AFLOWLIB.org repository

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2014 - 2018

Mineralogy Genome Project: extending the AFLOWLIB.org repository to geophysical and environmental materials

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2015 - 2017

Materials Project for Functional Electronic Materials Design

ResearchPrincipal Investigator · Awarded by Ernest Orlando Lawrence Berkeley National Laboratory · 2013 - 2017

Integration of the experimental superconductor database with AFLOWLIB

ResearchPrincipal Investigator · Awarded by University of Maryland · 2016 - 2017

Expanding AFLOW Visualization using Jmol V2

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2016 - 2017

Enhancing AFLOW Visualization Using Jmol

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2015 - 2016

PECASE: Fundamental Thermodynamic Problems at the Nanoscale, order-disorder transitions in precipitates and alloyed nano-clusters

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2009 - 2015

Computer Aided Materials Design Of Superconductors by High-Throughput Thermodynamics

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2010 - 2015

Material Genome: Duke-NIST Initiative

ResearchPrincipal Investigator · Awarded by National Institute of Standards and Technology · 2012 - 2014

CAREER: Genetic Approaches to Quantum Mechanics Predictions of Materials Structures

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2007 - 2013

Computational Equipment for the "Materials Genome Initiative for Global Competitiveness" at Duke University

EquipmentPrincipal Investigator · Awarded by Office of Naval Research · 2012 - 2013

High-throughput Thermodynamic Search of Novel Phonon-mediated Covalent Metal Superconductors

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2010 - 2011

High-Throughput Combinatorial Materials Characterization of Oxidation Resistant Titanium Alloys and Novel Boride Superconductors

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2007 - 2011

External Relationships


  • ACTA MATERIALIA (journal of "The Minerals, Metals & Materials Society" (TMS))

This faculty member (or a member of their immediate family) has reported outside activities with the companies, institutions, or organizations listed above. This information is available to institutional leadership and, when appropriate, management plans are in place to address potential conflicts of interest.