Stefano Curtarolo

Stefano Curtarolo's AcademicInfluence.com Rankings

Stefano Curtarolo

Physics

#6737

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#8718

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Physics

Stefano Curtarolo's Degrees

PhD Materials Science and Engineering University of California, Berkeley
Masters Physics University of California, Berkeley
Bachelors Physics University of California, Berkeley

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Stefano Curtarolo's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The high-throughput highway to computational materials design. (2013) (1375)
Entropy-stabilized oxides (2015) (1104)
High-throughput electronic band structure calculations: Challenges and tools (2010) (1020)
AFLOW: An automatic framework for high-throughput materials discovery (2012) (791)
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) (706)
Charting the complete elastic properties of inorganic crystalline compounds (2015) (616)
All The Catalytic Active Sites of MoS2 for Hydrogen Evolution. (2016) (534)
High-entropy ceramics (2020) (503)
Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. (2015) (490)
High-entropy high-hardness metal carbides discovered by entropy descriptors (2018) (433)
Universal fragment descriptors for predicting properties of inorganic crystals (2016) (388)
Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) (329)
Predicting crystal structures with data mining of quantum calculations. (2003) (327)
Phase stability and mechanical properties of novel high entropy transition metal carbides (2019) (308)
Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling (2014) (279)
Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) (274)
SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates (2017) (242)
Machine learning modeling of superconducting critical temperature (2017) (241)
A search model for topological insulators with high-throughput robustness descriptors. (2012) (225)
Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints (2014) (210)
The AFLOW standard for high-throughput materials science calculations (2015) (200)
Low thermal conductivity and triaxial phononic anisotropy of SnSe (2014) (197)
Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics. (2015) (190)
High-throughput combinatorial database of electronic band structures for inorganic scintillator materials. (2011) (190)
Uptake of gases in bundles of carbon nanotubes (2000) (187)
Accelerated discovery of new magnets in the Heusler alloy family (2017) (178)
High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model (2014) (175)
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) (147)
Reformulation of DFT + U as a pseudohybrid hubbard density functional for accelerated materials discovery (2015) (141)
The AFLOW Library of Crystallographic Prototypes: Part 2 (2017) (132)
Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations (2011) (129)
On-the-fly closed-loop materials discovery via Bayesian active learning (2020) (123)
Machine learning for alloys (2021) (121)
The search for high entropy alloys: A high-throughput ab-initio approach (2017) (116)
Nanograined Half‐Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High‐Throughput Statistical Study (2014) (112)
The 2019 materials by design roadmap (2018) (111)
High-throughput and data mining with ab initio methods (2004) (102)
Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy (2021) (99)
Discovery of high-entropy ceramics via machine learning (2020) (93)
Hafnium binary alloys from experiments and first principles (2009) (93)
How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids (2017) (93)
Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations (2016) (92)
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases (2016) (90)
Decoupling Local Disorder and Optical Effects in Infrared Spectra: Differentiating Between Calcites with Different Origins (2011) (89)
Thermopower of molecular junctions: an ab initio study. (2009) (87)
Modeling the melting of supported clusters (2006) (85)
Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals, Using a Computational First-Principles Approach (2013) (82)
Uncovering compounds by synergy of cluster expansion and high-throughput methods. (2010) (76)
High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites (2016) (74)
Dynamics of an inhomogeneously coarse grained multiscale system. (2001) (71)
Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles (2006) (70)
Reduced carbon solubility in Fe nanoclusters and implications for the growth of single-walled carbon nanotubes. (2008) (68)
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 (2018) (65)
Comparative Study of Nonproportionality and Electronic Band Structures Features in Scintillator Materials (2009) (64)
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians (2017) (64)
AFLOW-ML: A RESTful API for machine-learning predictions of materials properties (2017) (63)
Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach (2016) (63)
Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science (2012) (62)
Ordered structures in rhenium binary alloys from first-principles calculations. (2011) (62)
Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth (2007) (61)
Theoretical study of metal borides stability (2006) (61)
Predicting superhard materials via a machine learning informed evolutionary structure search (2019) (61)
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) (60)
Effective and accurate representation of extended Bloch states on finite Hilbert spaces (2013) (60)
Surface geometry of C(60) on Ag(111). (2009) (60)
Crystallization behavior upon heating and cooling in Cu 50 Zr 50 metallic glass thin films (2016) (60)
A computational high-throughput search for new ternary superalloys (2016) (58)
Prediction of different crystal structure phases in metal borides: A lithium monoboride analog toMgB2 (2006) (57)
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids (2016) (56)
The new face of rhodium alloys: revealing ordered structures from first principles. (2010) (56)
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library (2017) (56)
Revealing the impact of catalyst phase transition on carbon nanotube growth by in situ Raman spectroscopy. (2013) (55)
AFLUX: The LUX materials search API for the AFLOW data repositories (2016) (53)
Guiding the experimental discovery of magnesium alloys (2011) (52)
Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: a validation of the ACBN0 functional (2015) (49)
Surface segregation in nanoparticles from first principles: The case of FePt (2009) (49)
Data-Mining-Driven Quantum Mechanics for the Prediction of Structure (2006) (48)
High-Throughput Prediction of Finite-Temperature Properties using the Quasi-Harmonic Approximation (2016) (47)
Ordered phases in ruthenium binary alloys from high-throughput first-principles calculations (2011) (46)
Unavoidable disorder and entropy in multi-component systems (2019) (45)
Structure maps for hcp metals from first-principles calculations (2010) (43)
Finding the Stable Structures of N1-xWx with an Ab Initio High-Throughput Approach (2014) (42)
Evolution of topological order in Xe films on a quasicrystal surface. (2005) (39)
Accurate tight-binding Hamiltonians for two-dimensional and layered materials (2016) (38)
AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals. (2018) (38)
Wetting transitions of Ne (1998) (36)
High-throughput ab initio analysis of the Bi–In, Bi–Mg, Bi–Sb, In–Mg, In–Sb, and Mg–Sb systems (2005) (35)
Infrared Absorption Spectrum of Brushite from First Principles (2014) (35)
Ordered magnesium-lithium alloys: First-principles predictions (2010) (35)
The AFLOW Library of Crystallographic Prototypes (2016) (34)
Coordination corrected ab initio formation enthalpies (2018) (34)
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity (2016) (32)
Robust topological surface state in Kondo insulator SmB6 thin films (2014) (30)
Size dependent melting mechanisms of iron nanoclusters (2007) (30)
Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery (2018) (30)
Ab initio insights on the shapes of platinum nanocatalysts. (2011) (30)
XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction (2019) (29)
Viscous state effect on the activity of Fe nanocatalysts. (2010) (29)
Atoms in nanotubes: Small dimensions and variable dimensionality (1999) (29)
Roadmap on Machine learning in electronic structure (2022) (28)
Influence of Mo on the Fe:Mo:C nanocatalyst thermodynamics for single-walled carbon nanotube growth (2008) (27)
OPTIMADE, an API for exchanging materials data (2021) (27)
Search for highTcin layered structures: The case of LiB (2007) (26)
Giant spin Hall effect in two-dimensional monochalcogenides (2018) (26)
COMPUTER SIMULATIONS OF THE WETTING PROPERTIES OF NEON ON HETEROGENEOUS SURFACES (1998) (26)
Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors (2008) (25)
The AFLOW Fleet for Materials Discovery (2017) (25)
Accurate ab initio tight-binding Hamiltonians: Effective tools for electronic transport and optical spectroscopy from first principles (2016) (25)
Improved electronic structure and magnetic exchange interactions in transition metal oxides (2017) (24)
First principles study of Ag, Au, and Cu surface segregation in FePt-L10 (2010) (24)
Evaluation of the tantalum-titanium phase diagram from ab-initio calculations (2016) (24)
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe (2019) (23)
Predictions of the Pt(8)Ti phase in unexpected systems. (2010) (23)
Ground-state characterizations of systems predicted to exhibit L11 or L13 crystal structures (2012) (22)
Systematic Band Gap Tuning of BaSnO3 via Chemical Substitutions: The Role of Clustering in Mixed-Valence Perovskites (2017) (22)
A high-throughput ab initio review of platinum-group alloy systems (2013) (21)
Use of periodic approximants in a dynamical LEED study of the quasicrystalline tenfold surface of decagonal AL-Ni-Co (2006) (21)
Data-Driven Quest for Two-Dimensional Non-van der Waals Materials. (2021) (20)
Evidence concerning drying behavior of Ne near a Cs surface. (2001) (19)
Metallic glasses for biodegradable implants (2019) (19)
Composition-spread Growth and the Robust Topological Surface State of Kondo insulator SmB6 Thin Films (2014) (18)
Carbon Stoichiometry and Mechanical Properties of High Entropy Carbide (2021) (17)
The molybdenum-titanium phase diagram evaluated from ab-initio calculations (2016) (17)
Calculation of solubility in titanium alloys from first principles (2009) (17)
First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys (2009) (17)
The ordering of a Xe monolayer on quasicrystalline Al–Ni–Co (2006) (16)
Xe films on a decagonal Al-Ni-Co quasicrystalline surface (2006) (16)
AFLOW-XtalFinder: a reliable choice to identify crystalline prototype (2020) (16)
Entropy Landscaping of High‐Entropy Carbides (2021) (16)
Settling the matter of the role of vibrations in the stability of high-entropy carbides (2021) (15)
First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides. (2015) (15)
Stable ordered structures of binary technetium alloys from first principles (2012) (15)
Noble gas films on a decagonal AlNiCo quasicrystal (2006) (15)
Advanced modeling of materials with PAOFLOW 2.0: New features and software design (2021) (14)
Ultrathin SnTe films as a route towards all-in-one spintronics devices (2019) (14)
The Maximum Edge Weight Clique Problem: Formulations and Solution Approaches (2017) (14)
Accelerating disorder–order transitions of FePt by preforming a metastable AgPt phase (2012) (14)
Prediction and hydrogen acceleration of ordering in iron-vanadium alloys. (2012) (13)
Nonproportionality and Scintillation Studies of ${\hbox{Eu:}} {\hbox{SrI}}_{\rm 2}$ From 295 to 5 K (2012) (12)
Gas adsorption on quasicrystalline surfaces (2008) (12)
Vibrational Properties of Metastable Polymorph Structures by Machine Learning (2018) (12)
Revealing low-temperature atomic ordering in bulk Co-Pt with the high-throughput ab-initio method (2011) (11)
Enhancing ductility in bulk metallic glasses by straining during cooling (2021) (11)
Coarse-graining and data mining approaches to the prediction of structures and their dynamics (2003) (11)
Wetting transition behavior of Xe on Cs and Cs/graphite (2004) (11)
Initial growth of single-walled carbon nanotubes on supported iron clusters: a molecular dynamics study (2007) (10)
SISSO: a compressed-sensing method for systematically identifying efficient physical models of materials properties (2017) (10)
Computational study of the thermal behavior of iron clusters on a porous substrate (2008) (10)
Parametrically constrained geometry relaxations for high-throughput materials science (2019) (9)
High-entropy ceramics: Propelling applications through disorder (2021) (9)
Ordering of rare gas films on a decagonal Al–Ni–Co quasicrystal (2006) (8)
Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. (2008) (8)
Correction: QSAR without borders. (2020) (8)
Spinodal Superlattices of Topological Insulators (2018) (8)
Characterization of light output and scintillation emission in CsI(Tl), NaI(Tl), and LaBr3(Ce) under isostatic pressure (2013) (8)
Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics (2016) (8)
High-throughput study of the static dielectric constant at high temperatures in oxide and fluoride cubic perovskites (2018) (8)
Pressure effects on the electronic structure and superconducting critical temperature of Li2B2 (2014) (7)
Thermodynamics of carbon in iron nanoparticles at low temperature: Reduced solubility and size-induced nucleation of cementite (2010) (7)
Predictions of the Pt8Ti Phase in Unexpected Systems. (2010) (6)
Vibrational spectral fingerprinting for chemical recognition of biominerals. (2020) (6)
Plasmonic high-entropy carbides (2022) (6)
Nonproportionality and Scintillation Studies of Eu : SrI From 295 to 5 K (2012) (6)
On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning (2020) (6)
Machine Learning and High-Throughput Approaches to Magnetism (2020) (6)
Thermoelectric Properties of Minerals with the Mawsonite Structure (2019) (5)
aflow++: A C++ framework for autonomous materials design (2022) (5)
Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping (2021) (5)
AFLOW-XTAL-MATCH: Automated method for quantifying the structural similarity of materials and identifying unique crystal prototypes (2019) (5)
Data Mining Approach to Ab-Initio Prediction of Crystal Structure (2003) (5)
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids (2018) (5)
Tin-pest problem as a test of density functionals using high-throughput calculations (2020) (4)
Mechanical Properties of Chemically Modified Clay (2019) (4)
Numerical Algorithm for Pólya Enumeration Theorem (2016) (4)
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure. (2022) (4)
Automated coordination corrected enthalpies with AFLOW-CCE (2021) (4)
The effect of lattice stability determination on the computational phase diagrams of intermetallic alloys (2017) (4)
aflow.org: A Web Ecosystem of Databases, Software and Tools (2022) (4)
The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. (2017) (4)
An apparatus for studying scintillator properties at high isostatic pressures. (2013) (3)
Density functional study of the L10–αIrV transition in IrV and RhV (2011) (3)
Gas–Surface Interactions on Quasicrystals (2011) (3)
Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW - AAPL an automated, accurate and effcient framework (2016) (3)
Modelling and synthesis of high-entropy refractory carbides (2017) (3)
Nonproportionality and Scintillation Responses of LSO:Ce From 4.3 to 300 K (2013) (3)
Ordering and growth of Xe films on the 10-fold quasicrystalline approximant Al13Co4(100) surface (2011) (2)
Autonomous data-driven design of inorganic materials with AFLOW. (2018) (2)
Networks of materials: Construction and structural analysis (2020) (2)
Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional (2014) (2)
High throughput thermal conductivity of high temperature solid phases : the case of oxide and fluoride perovskites (2016) (2)
Computational studies of small carbon and iron-carbon systems relevant to carbon nanotube growth. (2008) (2)
Two-layer high-throughput: Effective mass calculations including warping (2022) (2)
Ordered Magnesium-Lithium alloys (2009) (2)
Thermoelectric characterization of fine-grained Ti5O9 Magneli phase ceramics (2016) (2)
Automated Computation of Materials Properties (2018) (2)
Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals (2017) (2)
High-Throughput Computational Search for Half-Metallic Oxides (2020) (1)
Lossless tapers, Gaussian beams, free-space modes: Standing waves versus through-flowing waves (1999) (1)
High-entropy high-hardness metal carbides discovered by entropy descriptors (2018) (1)
Chasing Exotic Binary Alloy Compounds: The Necessary Synergy of Cluster Expansion and High-Throughput Methods (2010) (1)
First Principles Investigation of Cold Curves of Metals (2020) (1)
A high-throughput search for new ternary superalloys (2016) (1)
Carbon Nanotube Growth Mechanisms (2007) (1)
QH-POCC: Taming tiling entropy in thermal expansion calculations of disordered materials (2022) (1)
Addressing the lattice stability puzzle in the computational determination of intermetallic phase diagrams (2016) (1)
Ordering and growth of rare gas films (Xe, Kr, Ar, and Ne) on the pseudo-ten-fold quasicrystalline approximant Al13Co4(100) surface (2014) (1)
Accuracy of high throughput ab-initio methods in predicting crystal structures of metals: review of 80 binary alloys (2005) (1)
Shared Metadata for Data-Centric Materials Science (2022) (1)
Modeling O ff-Stoichiometry Materials with a High-Throughput Ab-Initio Approach (2016) (1)
Modeling Disordered Materials with a High Throughput ab-initio Approach (2015) (1)
Quest for high Tc in layered structures: the case of LiB (2007) (1)
Ab Initio Insights on the Shapes of Nanocrystals (2011) (1)
Supplementary Material for Finding the Stable Structures of N1-xWX with an Ab-initio High-Throughput Approach (2015) (1)
Thermodynamic Stability of Topological Insulators (2015) (0)
The role of carbon solubility in Fe-C nano-clusters on the growth of small single-walled carbon nanotubes (2008) (0)
Theoretical Prediction of Superhard Materials with the XtalOpt Evolutionary Algorithm (2019) (0)
Constrained Geometry Relaxations in Materials Science (2019) (0)
Version r 12 : An Open – Source Evolutionary Algorithm for Crystal Structure Prediction (2019) (0)
Representability of Bloch states on Projector-augmented-wave (PAW) basis sets (2015) (0)
High-throuput formalism and calculation of Ag, Au, Cd, Co, Cr, Ir, W, and Zn solubility in Ti from first-principles (2009) (0)
Structural Transitions in IrV and RhV (2010) (0)
BYU ScholarsArchive BYU ScholarsArchive Structure maps for hcp metals from first-principles calculations Structure maps for hcp metals from first-principles calculations (2022) (0)
Integrative interactive visualization of crystal structure, band structure, and Brillouin zone (2017) (0)
Speeding up DFT: A faster method for integrating band energy in (2015) (0)
Computational Study of the Phase Diagram of Tungsten-Nitride (2013) (0)
Elastic Constants and Phonons of Tungsten-Nitride from First Principles (2013) (0)
Thermomechanical properties in the AFLOW distributed database (2017) (0)
Thermodynamic instabilities in nano-catalysts and their effects on the diameter of grown nanotubes (2009) (0)
Morphology of hydrocarbon films on decagonal Al-Ni-Co quasicrystalline surfaces (2009) (0)
Distribution and stability of Carbon in Fe-C nanoparticles. (2007) (0)
High-throughput discovering half-metals from materials magnetic properties database (2012) (0)
Hands-free thermodynamic alloy modeling of $\sim$700 binary alloys using a Bayesian approach: Part II (2012) (0)
Magnesium phase diagrams: Have you seen us? (2009) (0)
Using your own computer to search for novel materials (with a little help from the aflowlib.org consortium online library) (2014) (0)
Ab initio study of Ba$_{\mathrm{1-x}}$Sr$_{\mathrm{x}}$SnO$_{\mathrm{3}}$ and BaSn$_{\mathrm{1-x}}$M$_{\mathrm{x}}$O$_{\mathrm{3}}$ (M $=$ Bi, Pb) using the ACBN0 functional: structural, electronic and optical properties (2017) (0)
Science of entropy-stabilized ultra-high temperature materials: predictive and multi-physics modelling (2017) (0)
Challenges for Growth of Smallest Diameter Single-Walled Carbon Nanotubes by Catalytic Method (2007) (0)
ACBN0-tool for accelerated materials discovery. (2016) (0)
Effect of uniaxial and biaxial strain on the electronic and dynamical properties of CdO: ACBN0 functional study (2015) (0)
First Principles Search for New Superconducting Layered Borides (2007) (0)
Ten-fold speed up of DFT: Improving k-point integration (2015) (0)
Engineering the electronic properties of topological insulator heterostructures (2017) (0)
Predicting Bulk Metallic Glass Forming Ability with the Thermodynamic Density of Competing Crystalline States (2016) (0)
Marcatili's Lossless Tapers and Bends: an Apparent Paradox and its Solution (1999) (0)
The growth of Xe on the 10-fold Al-Ni-Co Quasicrystal Surface (2005) (0)
The structure and composition statistics of 6 A binary and ternary structures (2017) (0)
Electronic structure of MS2-LiB under hydrostatic pressure. (2007) (0)
Classification of the ICSD by crystal Prototype (2011) (0)
First principles computational descriptor for entropy forming ability (2017) (0)
Epitaxial orientations and temperature dependence of the 5- to 6-fold ordering transition (2006) (0)
Dynamics and Thermodynamics of a system with multiple length scales (2002) (0)
Predictions of the $\mathrm{Pt}_{8}\mathrm{Ti}$ phase in unexpected systems (2010) (0)
New empirical potentials between iron nanoparticles and oxide substrates (2006) (0)
Low thermal conductivity of SnSe and existence of an easy axis for phonons (2014) (0)
A search for new cobalt-based high temperature superalloys (2015) (0)
Science of high entropy ultra-high temperature thin films: synthesis and characterization (2017) (0)
High-Throughput Identification of Unique Structure Prototypes in the Inorganic Crystal Structure Database (2016) (0)
Binary Magnesium Alloys: Searching for Novel Compounds by Computational Thermodynamics (2011) (0)
Computational Materials Discovery Goes Platinum (2013) (0)
J un 2 01 0 Density Functional Study of the L 1 0-α IrV Transition in IrV and RhV (2010) (0)
Phase diagrams for Fe-C nanoparticles: A Molecular Dynamics Study (2006) (0)
MATERIALS 3 , 073801 ( 2019 ) AFLOW-QHA 3 P : Robust and automated method to compute thermodynamic properties of solids (2019) (0)
Strong negative thermal expansion in metal carbides using the quasi-harmonic approximation (2017) (0)
Exploring the features of $E_n{(\bf k)}$ (2017) (0)
OPTIMADE, an API for exchanging materials data (2021) (0)
The Department of Materials Science and Engineering invites you to join us for an upcoming Seminar (2010) (0)
Enjoying materials development with your computer (2014) (0)
Science of entropy-stabilized ultra-high temperature thin films: Synthesis, validation and properties (2017) (0)
Novel Occurences of L1$_1$ and L1$_3$ found using the synnergy between High Throughput and Cluster Expansion (2011) (0)
Growth and ordering of gas films on a decagonal AlNiCo quasicrystal surface (2007) (0)
Boro/carbothermal Reduction Co-synthesis of Dual-phase High-entropy Boride-carbide Ceramics (2022) (0)
High-throughput combinatorial search of novel topological insulators (2011) (0)
Using Data Mining Algorithms in Solid State Physics (2015) (0)
Numerical Algorithm for P olya Enumeration Theorem (2014) (0)
Beyond the constant relaxation time (2019) (0)
Design rules for the thermal and elastic properties of rare-earth disilicates (2023) (0)
AFLOWSYM: A robust procedure to perform the complete symmetry analysis of crystals (2017) (0)
High-throughout thermodynamics of vibrational degrees of freedom with AFLOW (2015) (0)
A New Approach to Predict the Structure of Alloys (2003) (0)
Mapping experimental electronic transport measurements on appropriate band structure models (2019) (0)
High-throughput determination of Hubbard U for cubic perovskites using the ACBN0 functional (2016) (0)
Computational Modeling of SWNTs and Their Growth (2007) (0)
Entropy descriptors and Entropy Stabilized Oxides (2016) (0)
Distributed Strategies for Materials Development (2011) (0)
First-principles search for potential high temperature superconductors in the Mg-B-A (A=alkaline metal) system with high boron content (2008) (0)
The apparent paradox of the Gibbs-Thompson phenomenon is the thermodynamic limit for the activity of Fe anf Fe:Mo catalysts for carbon nanotubes growth (2008) (0)
Fabrication of high-entropy nitrides and carbonitrides (2017) (0)
Vibrational fingerprintings for chemical recognition of biominerals (2019) (0)
High-throughput study of Cu-Fe-S minerals as new thermoelectric materials (2018) (0)
Modeling the Melting of Free and Supported Metal Clusters (2006) (0)
COMPUTER SIMULATION STUDIES OF WETTING ON HETEROGENEOUS SURFACES (1999) (0)
Formulation of an entropy descriptor for entropy stabilized compounds from high-throughput DFT (2017) (0)
Search and Design of Topological Insulators by High-throughput Method (2012) (0)
The quest for descriptors in high-throughput searches: thermoelectrics and topological insulators (2013) (0)
Adsorbed phases in carbon nanotubes bundles (2000) (0)
An Automated Application Framework to Model Disordered Materials Based on a High Throughput First Principles Approach (2016) (0)
Novel functionalities in chemically-modified quasi-2D clay minerals. (2019) (0)
Improved predictions of the electronic and structural properties of Zn- and Cd- based compounds. An ACBN0 study (2015) (0)
Bulk and surface properties of rutile TiO$_2$: an ACBN0 case study (2015) (0)
Special Glass Structures for First Principles Studies of Bulk Metallic Glasses (2023) (0)
Automated combinatorial method for fast and robust prediction of lattice thermal conductivity (2017) (0)
Comparative study of electronic structures and nonproportionality of scintillator materials (2009) (0)
Equilibrium and metastable shapes of platinum nanoparticles from first principles (2010) (0)
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure (2022) (0)
M ay 2 00 9 Surface segregation in nanoparticles from first principles (2009) (0)
Topological Insulator Superlattices via Spinodal Decomposition (2019) (0)
High-entropy metal diborides: a new class of ultra-high temperature ceramics (2017) (0)
The New NRL Crystallographic Database (2016) (0)
High-Throughput Searches for Electronic Materials in AflowLib.org: Robustness and Fragility of Topological Insulators by (2013) (0)
Improvements to the NRL Tight-Binding Model (2009) (0)
Magnetic properties and exchange interactions in transition metal oxides: Benchmarking the ACBN0 functional (2017) (0)
First principles calculated databases for the prediction of intermetallic structure (2003) (0)
Density Functional Study of the L1_0 - alpha-IrV Transition in IrV and RhV (2010) (0)
L10-αIrV Transition in IrV and RhV (2010) (0)
Disorder drives synthesizability of multi-component systems (2019) (0)
5 to 6-fold symmetry transition and T-dependent stacking of Xe adsorbed on a quasicrystal surface (2005) (0)
Group-IV tellurides as a route towards all-in-one spin transistors (2020) (0)
Pressure effects on the superconducting critical temperature of Li2B2 (2014) (0)
Elastic Tensor Data (2018) (0)
Influence of Processing on the Microstructural Evolution and Multiscale Hardness in Titanium Carbonitrides (TiCN) Produced via Field Assisted Sintering Technology (2023) (0)
Predicting Novel Bulk Metallic Glasses via High- Throughput Calculations (2016) (0)
Metastable states along the Bain path in AgZr with AFLOW (2011) (0)
High-throughput calculations of pressure-induced phase transitions in tungsten nitride (2015) (0)
Formation enthalpies for automated computational materials design (2019) (0)
Measurements and simulations of the phonon thermal conductivity of entropy stabilized alloys (2017) (0)
A machine learning approach for the classification of metallic glasses (2017) (0)
Phonon scattering mechanisms contributing to the low thermal conductivities of entropy stabilized oxides and high entropy carbides (2018) (0)
High-Throughput Ab Initio Study of Binary Intermetallic Alloys (2004) (0)
Stabilizing the Simple Hexagonal Structure -- Alloys of Tin (2019) (0)
Engineering superconductors with ab initio methods: the example of LiB (2007) (0)
High throughput solution of Boltzmann transport equation: phonons, thermal conductivity and beyond (2016) (0)
’ s Choice AFLOW p : A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians (2017) (0)
Simulation of methane on Al(111) (2009) (0)
Topological States of Heterostructures (2016) (0)

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What Schools Are Affiliated With Stefano Curtarolo?

Stefano Curtarolo is affiliated with the following schools: