Stefano Curtarolo

发表

Disorder drives synthesizability of multi-component systems

Cormac Toher, Corey Oses, Stefano Curtarolo, 2019 .

XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction

Cormac Toher, Stefano Curtarolo, Eva Zurek, 2019, Comput. Phys. Commun..

Thermomechanical properties in the AFLOW distributed database

Marco Buongiorno Nardelli, Cormac Toher, Corey Oses, 2017 .

A machine learning approach for the classification of metallic glasses

Haitao Zhang, Cormac Toher, Stefano Curtarolo, 2017 .

AFLUX: The LUX materials search API for the AFLOW data repositories

Marco Buongiorno Nardelli, Cormac Toher, Corey Oses, 2016, 1612.05130.

High-throughput discovering half-metals from materials magnetic properties database

Stefano Curtarolo, Junkai Xue, Shidong Wang, 2012 .

First principles computational descriptor for entropy forming ability

Cormac Toher, Stefano Curtarolo, Donald W. Brenner, 2017 .

Distributed Strategies for Materials Development

Stefano Curtarolo, 2011 .

Theoretical Prediction of Superhard Materials with the XtalOpt Evolutionary Algorithm

Cormac Toher, Stefano Curtarolo, Eva Zurek, 2019 .

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo, 2014, 1403.2642.

High-Throughput Searches for Electronic Materials in AflowLib.org: Robustness and Fragility of Topological Insulators by

Stefano Curtarolo, 2013 .

Numerical Algorithm for Pólya Enumeration Theorem

Conrad W. Rosenbrock, Gus L. W. Hart, Stefano Curtarolo, 2016, ACM J. Exp. Algorithmics.

Universal fragment descriptors for predicting properties of inorganic crystals

Cormac Toher, Corey Oses, Stefano Curtarolo, 2016, Nature Communications.

An Automated Application Framework to Model Disordered Materials Based on a High Throughput First Principles Approach

Corey Oses, Stefano Curtarolo, Kesong Yang, 2016 .

Using Data Mining Algorithms in Solid State Physics

Marco Buongiorno Nardelli, Stefano Curtarolo, Marco Fornari, 2015 .

Classification of the ICSD by crystal Prototype

Stefano Curtarolo, Wahyu Setyawan, Junkai Xue, 2011 .

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis

Cormac Toher, Corey Oses, Stefano Curtarolo, 2018, J. Chem. Inf. Model..

ACBN0-tool for accelerated materials discovery.

Gus L. W. Hart, Stefano Curtarolo, Marco Fornari, 2016 .

High-throughput electronic band structure calculations: Challenges and tools

Stefano Curtarolo, Wahyu Setyawan, S. Curtarolo, 2010, 1004.2974.

Lossless tapers, Gaussian beams, and free-space modes: standing waves versus through-flowing waves

Stefano Curtarolo, Carlo G. Someda, Michele Midrio, 1999, Other Conferences.

Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Marco Buongiorno Nardelli, Stefano Curtarolo, Arrigo Calzolari, 2013, 1310.0060.

The Maximum Edge Weight Clique Problem: Formulations and Solution Approaches

Marco Buongiorno Nardelli, Stefano Curtarolo, Dalila B.M.M. Fontes, 2017 .

High-throughput and data mining with ab initio methods

Stefano Curtarolo, Gerbrand Ceder, Dane Morgan, 2004 .

Speeding up DFT: A faster method for integrating band energy in

Gus L. W. Hart, Stefano Curtarolo, Derek C. Thomas, 2014 .

The AFLOW Library of Crystallographic Prototypes: Part 1

Gus L. W. Hart, Cormac Toher, Corey Oses, 2017 .

Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery

Cormac Toher, Corey Oses, Stefano Curtarolo, 2018, MRS Bulletin.

AFLOW-ML: A RESTful API for machine-learning predictions of materials properties

Cormac Toher, Corey Oses, Stefano Curtarolo, 2017, Computational Materials Science.

The high-throughput highway to computational materials design.

Marco Buongiorno Nardelli, Stefano Curtarolo, Ohad Levy, 2013, Nature materials.

Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints

Corey Oses, Stefano Curtarolo, Olexandr Isayev, 2014, 1412.4096.

AFLOW-XTAL-MATCH: Automated method for quantifying the structural similarity of materials and identifying unique crystal prototypes

Cormac Toher, Stefano Curtarolo, Ohad Levy, 2019 .

On-the-fly closed-loop materials discovery via Bayesian active learning

Cormac Toher, Corey Oses, Stefano Curtarolo, 2020, Nature Communications.

Automated Computation of Materials Properties

Cormac Toher, Corey Oses, Stefano Curtarolo, 2018, Materials Informatics.

Vibrational Properties of Metastable Polymorph Structures by Machine Learning

Stefano Curtarolo, Ambroise van Roekeghem, Natalio Mingo, 2018, J. Chem. Inf. Model..

The AFLOW Library of Crystallographic Prototypes: Part 2

Robert M. Hanson, Cormac Toher, Stefano Curtarolo, 2018, Computational Materials Science.

Using your own computer to search for novel materials (with a little help from the aflowlib.org consortium online library)

Stefano Curtarolo, 2014 .

Enjoying materials development with your computer

Stefano Curtarolo, 2014 .

Machine Learning and High-Throughput Approaches to Magnetism

Corey Oses, Stefano Curtarolo, Jenny Nelson, 2020, Handbook of Materials Modeling.

Charting the complete elastic properties of inorganic crystalline compounds

Cormac Toher, Stefano Curtarolo, Anthony Gamst, 2015, Scientific Data.

Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping pdf

Cormac Toher, Corey Oses, Stefano Curtarolo, 2021, ArXiv.

Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces.

Stefano Curtarolo, Wahyu Setyawan, S. Curtarolo, 2008, Physical review letters.

Prediction of new crystal structure phases in metal borides

Stefano Curtarolo, Aleksey N. Kolmogorov, 2006 .

Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science

Stefano Curtarolo, Carlos G. Levi, Yury Gogotsi, 2012 .

Composition-spread Growth and the Robust Topological Surface State of Kondo insulator SmB6 Thin Films

Stefano Curtarolo, Richard L. Greene, Xiaohang Zhang, 2014 .

Structure maps for hcp metals from first-principles calculations

Stefano Curtarolo, Ohad Levy, S. Curtarolo, 2010, 1002.2822.

Search for highTcin layered structures: The case of LiB

Stefano Curtarolo, Aleksey N. Kolmogorov, Matteo Calandra, 2007 .

A computational high-throughput search for new ternary superalloys

Gus L. W. Hart, Corey Oses, Stefano Curtarolo, 2016, 1603.05967.

Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids

Marco Buongiorno Nardelli, Cormac Toher, Corey Oses, 2016, 1611.05714.

A search model for topological insulators with high-throughput robustness descriptors.

Stefano Curtarolo, Wahyu Setyawan, Kesong Yang, 2012, Nature materials.

The search for high entropy alloys: A high-throughput ab-initio approach

Cormac Toher, Stefano Curtarolo, Kenneth S. Vecchio, 2017, Acta Materialia.

Atoms in nanotubes: Small dimensions and variable dimensionality

Stefano Curtarolo, Massimo Boninsegni, Milton W. Cole, 1999 .

Thermopower of molecular junctions: an ab initio study.

Stefano Curtarolo, Weitao Yang, Weitao Yang, 2009, Nano letters.

Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors

Stefano Curtarolo, Aleksey N. Kolmogorov, Matteo Calandra, 2008, 0806.0061.

How the Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

Stefano Curtarolo, Ambroise van Roekeghem, Natalio Mingo, 2017, 1703.02309.

Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

Stefano Curtarolo, Gerbrand Ceder, Dane Morgan, 2005, cond-mat/0502465.

High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo, 2014, 1407.7789.

Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations

Stefano Curtarolo, Wahyu Setyawan, Natalio Mingo, 2011 .

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates

Stefano Curtarolo, Emre Ahmetcik, Matthias Scheffler, 2017, Physical Review Materials.

Data Mining Approach to Ab-Initio Prediction of Crystal Structure

Stefano Curtarolo, Gerbrand Ceder, Dane Morgan, 2003 .

Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics.

Brian F. Donovan, Stefano Curtarolo, Patrick E. Hopkins, 2015, Nature materials.

Reformulation of DFT + U as a pseudohybrid hubbard density functional for accelerated materials discovery

Marco Buongiorno Nardelli, Stefano Curtarolo, Luis A. Agapito, 2015 .

Dynamics of an inhomogeneously coarse grained multiscale system.

Stefano Curtarolo, Gerbrand Ceder, 2002, Physical review letters.

Subject Areas : Materials Science A Viewpoint on : Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals , Using a Computational First-Principles Approach

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2013 .

Predicting superhard materials via a machine learning informed evolutionary structure search

Cormac Toher, Corey Oses, Stefano Curtarolo, 2019, npj Computational Materials.

Uncovering compounds by synergy of cluster expansion and high-throughput methods.

Stefano Curtarolo, Ohad Levy, Gus L W Hart, 2010, Journal of the American Chemical Society.

Surface segregation in nanoparticles from first principles: The case of FePt

Stefano Curtarolo, W. H. Butler, A. van de Walle, 2009, 0905.2917.

Robust topological surface state in Kondo insulator SmB6 thin films

Stefano Curtarolo, Richard L. Greene, Xiaohang Zhang, 2014 .

Prediction of different crystal structure phases in metal borides: A lithium monoboride analog toMgB2

Stefano Curtarolo, Aleksey N. Kolmogorov, S. Curtarolo, 2006 .

The new face of rhodium alloys: revealing ordered structures from first principles.

Stefano Curtarolo, Ohad Levy, Gus L W Hart, 2010, Journal of the American Chemical Society.

Ordered magnesium-lithium alloys: First-principles predictions

Gus L. W. Hart, Stefano Curtarolo, Richard H. Taylor, 2010 .

Hafnium binary alloys from experiments and first principles

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2009, 0907.5131.

The New Face of Rhodium Alloys: Revealing Ordered Structures from First Principles.

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2010 .

High-entropy high-hardness metal carbides discovered by entropy descriptors

Cormac Toher, Corey Oses, Stefano Curtarolo, 2018, Nature Communications.

High-throughput combinatorial database of electronic band structures for inorganic scintillator materials.

Stefano Curtarolo, Wahyu Setyawan, S. Curtarolo, 2011, ACS combinatorial science.

Stable ordered structures of binary technetium alloys from first principles

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2012, 1308.5721.

Gas adsorption on quasicrystalline surfaces

Stefano Curtarolo, Wahyu Setyawan, Renee D. Diehl, 2008 .

High throughput thermal conductivity of high temperature solid phases : the case of oxide and fluoride perovskites

Corey Oses, Stefano Curtarolo, Ambroise van Roekeghem, 2016 .

The AFLOW Fleet for Materials Discovery

Robert M. Hanson, Marco Buongiorno Nardelli, Cormac Toher, 2017, Handbook of Materials Modeling.

The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials.

Corey Oses, Stefano Curtarolo, Ohad Levy, 2017, Inorganic chemistry.

Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach

Corey Oses, Stefano Curtarolo, Kesong Yang, 2016 .

Evaluation of the tantalum-titanium phase diagram from ab-initio calculations

Cormac Toher, Stefano Curtarolo, Ohad Levy, 2016 .

The effect of lattice stability determination on the computational phase diagrams of intermetallic alloys

Cormac Toher, Stefano Curtarolo, Ohad Levy, 2017 .

Viscous state effect on the activity of Fe nanocatalysts.

Stefano Curtarolo, Gabor Csányi, Gábor Csányi, 2010, ACS nano.

A high-throughput ab initio review of platinum-group alloy systems

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2013, 1308.4357.

The AFLOW standard for high-throughput materials science calculations

Marco Buongiorno Nardelli, Cormac Toher, Corey Oses, 2015, 1506.00303.

Ab initio lattice stability in comparison with CALPHAD lattice stability

Yi Wang, Stefano Curtarolo, Gerbrand Ceder, 2004 .

Accurate tight-binding Hamiltonians for two-dimensional and layered materials

Marco Buongiorno Nardelli, Stefano Curtarolo, Marco Fornari, 2016, 1601.02657.

Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

Stefano Curtarolo, Natalio Mingo, Wu Li, 2014, 1401.2439.

High-Throughput Prediction of Finite-Temperature Properties using the Quasi-Harmonic Approximation

Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo, 2016, 1603.06924.

Guiding the experimental discovery of magnesium alloys

Gus L. W. Hart, Stefano Curtarolo, Richard H. Taylor, 2011 .

Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals

Cormac Toher, Corey Oses, Stefano Curtarolo, 2017 .

The 2019 materials by design roadmap

Aron Walsh, Alán Aspuru-Guzik, Lubos Mitas, 2018, Journal of physics D: Applied physics.

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.

Marco Buongiorno Nardelli, Stefano Curtarolo, Hyun-Sik Kim, 2015, Nature materials.

Modeling O ff-Stoichiometry Materials with a High-Throughput Ab-Initio Approach

Corey Oses, Stefano Curtarolo, Kesong Yang, 2016 .

The AFLOW Library of Crystallographic Prototypes

Robert M. Hanson, Cormac Toher, Stefano Curtarolo, 2016 .

Revealing low-temperature atomic ordering in bulk Co-Pt with the high-throughput ab-initio method

Stefano Curtarolo, Roman V. Chepulskii, 2011 .

Low thermal conductivity and triaxial phononic anisotropy of SnSe

Stefano Curtarolo, Natalio Mingo, Jes'us Carrete, 2014, 1406.3532.

Revealing the impact of catalyst phase transition on carbon nanotube growth by in situ Raman spectroscopy.

Stefano Curtarolo, Benji Maruyama, David Liptak, 2013, ACS nano.

Data-Mining-Driven Quantum Mechanics for the Prediction of Structure

Stefano Curtarolo, Gerbrand Ceder, C. C. Fischer, 2006 .

Theoretical study of metal borides stability

Stefano Curtarolo, Aleksey N. Kolmogorov, S. Curtarolo, 2006 .

High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

Corey Oses, Stefano Curtarolo, Ambroise van Roekeghem, 2016, 1606.03279.

Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases

Cormac Toher, Stefano Curtarolo, Ohad Levy, 2016, Nature Communications.

AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.

Cormac Toher, Corey Oses, Stefano Curtarolo, 2018, Acta crystallographica. Section A, Foundations and advances.

Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations

Cormac Toher, Stefano Curtarolo, Donald W. Brenner, 2016 .

Ordered phases in ruthenium binary alloys from high-throughput first-principles calculations

Gus L. W. Hart, Stefano Curtarolo, Ohad Levy, 2011 .

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

Marco Buongiorno Nardelli, Gus L. W. Hart, Stefano Curtarolo, 2012 .