Curtarolo, S: search on Z-Library

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1

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

Sarker, Pranab, Harrington, Tyler, Toher, Cormac, Oses, Corey, Samiee, Mojtaba, Maria, Jon-Paul, Brenner, Donald W., Vecchio, Kenneth S., Curtarolo, Stefano

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 4.03 MB

english, 2018

2

High-throughput electronic band structure calculations: Challenges and tools

Wahyu Setyawan, Stefano Curtarolo

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 4.86 MB

english, 2010

3

The AFLOW Library of Crystallographic Prototypes: Part 2

Hicks, David, Mehl, Michael J., Gossett, Eric, Toher, Cormac, Levy, Ohad, Hanson, Robert M., Hart, Gus, Curtarolo, Stefano

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 134.25 MB

english, 2019

4

High-entropy ceramics

Oses, Corey, Toher, Cormac, Curtarolo, Stefano

Journal:

Nature Reviews Materials

Year:

2020

File:

PDF, 2.56 MB

2020

5

The AFLOW Library of Crystallographic Prototypes: Part 1

Mehl, Michael J., Hicks, David, Toher, Cormac, Levy, Ohad, Hanson, Robert M., Hart, Gus, Curtarolo, Stefano

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 87.22 MB

english, 2017

6

The high-throughput highway to computational materials design

Curtarolo, Stefano, Hart, Gus L. W., Nardelli, Marco Buongiorno, Mingo, Natalio, Sanvito, Stefano, Levy, Ohad

Journal:

Nature Materials

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

7

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

Jahnátek, Michal, Levy, Ohad, Hart, Gus L. W., Nelson, Lance J., Chepulskii, Roman V., Xue, J., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 519 KB

english, 2011

8

Entropy-stabilized oxides

C. M. Rost, E. Sachet, T. Borman, A. Moballegh, E. C. Dickey, D. Hou, J. L. Jones, S. Curtarolo, J. Maria

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

9

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

Antonio-D. Capobianco, Michele Midrio, Carlo G. Someda, Stefano Curtarolo

Journal:

Optical and Quantum Electronics

Year:

2000

Language:

english

File:

PDF, 171 KB

english, 2000

10

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

Stefano Curtarolo, Dane Morgan, Gerbrand Ceder

Journal:

Year:

2005

Language:

english

File:

PDF, 7.89 MB

english, 2005

11

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

Stefano Curtarolo, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson, Gus L.W. Hart, Stefano Sanvito, Marco Buongiorno-Nardelli, Natalio Mingo, Ohad Levy

Journal:

Computational Materials Science

Year:

2012

Language:

english

File:

PDF, 2.81 MB

english, 2012

12

AFLOW: An automatic framework for high-throughput materials discovery

Stefano Curtarolo, Wahyu Setyawan, Gus L.W. Hart, Michal Jahnatek, Roman V. Chepulskii, Richard H. Taylor, Shidong Wang, Junkai Xue, Kesong Yang, Ohad Levy, Michael J. Mehl, Harold T. Stokes, Denis O.

Journal:

Computational Materials Science

Year:

2012

Language:

english

File:

PDF, 2.42 MB

english, 2012

13

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

Wang, Shidong, Wang, Zhao, Setyawan, Wahyu, Mingo, Natalio, Curtarolo, Stefano

Journal:

Physical Review X

Year:

2011

Language:

english

File:

PDF, 283 KB

english, 2011

14

Predicting Crystal Structures with Data Mining of Quantum Calculations

Curtarolo, Stefano, Morgan, Dane, Persson, Kristin, Rodgers, John, Ceder, Gerbrand

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 94 KB

english, 2003

15

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

Agapito, Luis A., Ferretti, Andrea, Calzolari, Arrigo, Curtarolo, Stefano, Buongiorno Nardelli, Marco

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

16

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

Levy, Ohad, Chepulskii, Roman V., Hart, Gus L. W., Curtarolo, Stefano

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 868 KB

english, 2010

17

Stable ordered structures of binary technetium alloys from first principles

Levy, Ohad, Xue, Junkai, Wang, Shidong, Hart, Gus L. W., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 212 KB

english, 2012

18

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

Isayev, Olexandr, Fourches, Denis, Muratov, Eugene N., Oses, Corey, Rasch, Kevin, Tropsha, Alexander, Curtarolo, Stefano

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 3.25 MB

english, 2015

19

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

Toher, Cormac, Plata, Jose J., Levy, Ohad, de Jong, Maarten, Asta, Mark, Nardelli, Marco Buongiorno, Curtarolo, Stefano

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 424 KB

english, 2014

20

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

Sachet, Edward, Shelton, Christopher T., Harris, Joshua S., Gaddy, Benjamin E., Irving, Douglas L., Curtarolo, Stefano, Donovan, Brian F., Hopkins, Patrick E., Sharma, Peter A., Sharma, Ana Lima, Ihle

Journal:

Nature Materials

Year:

2015

Language:

english

File:

PDF, 1.01 MB

english, 2015

21

Pressure effects on the electronic structure and superconducting critical temperature of Li 2 B 2

Martínez-Guerra, E, Ortíz-Chi, F, Curtarolo, S, de Coss, R

Journal:

Journal of Physics Condensed Matter

Year:

2014

Language:

english

File:

PDF, 394 KB

english, 2014

22

The AFLOW standard for high-throughput materials science calculations

Calderon, Camilo E., Plata, Jose J., Toher, Cormac, Oses, Corey, Levy, Ohad, Fornari, Marco, Natan, Amir, Mehl, Michael J., Hart, Gus, Buongiorno Nardelli, Marco, Curtarolo, Stefano

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 327 KB

english, 2015

23

Modeling the Thermoelectric Properties of Ti5O9Magnéli Phase Ceramics

Pandey, Sudeep J., Joshi, Giri, Wang, Shidong, Curtarolo, Stefano, Gaume, Romain M.

Journal:

Journal of Electronic Materials

Year:

2016

Language:

english

File:

PDF, 1.50 MB

english, 2016

24

PAOFLOW : A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials

Buongiorno Nardelli, Marco, Cerasoli, Frank T., Costa, Marcio, Curtarolo, Stefano, De Gennaro, Riccardo, Fornari, Marco, Liyanage, Laalitha, Supka, Andrew R., Wang, Haihang

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 1.82 MB

english, 2018

25

Giant spin Hall effect in two-dimensional monochalcogenides

Sławińska, Jagoda, Cerasoli, Frank T, Wang, Haihang, Postorino, Sara, Supka, Andrew, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco

Journal:

Year:

2019

File:

PDF, 1.56 MB

2019

26

Giant spin Hall effect in two-dimensional monochalcogenides

Sławińska, Jagoda, Cerasoli, Frank T, Wang, Haihang, Postorino, Sara, Supka, Andrew, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco

Journal:

Year:

2019

Language:

english

File:

PDF, 1.56 MB

english, 2019

27

Materials Informatics (Methods, Tools and Applications) || Cognitive Chemistry: The Marriage of Machine Learning and Chemistry to Accelerate Materials Discovery

Isayev, Olexandr, Tropsha, Alexander, Curtarolo, Stefano

Year:

2019

Language:

english

File:

PDF, 961 KB

english, 2019

28

Materials Informatics (Methods, Tools and Applications) || Automated Computation of Materials Properties

Isayev, Olexandr, Tropsha, Alexander, Curtarolo, Stefano

Year:

2019

Language:

english

File:

PDF, 956 KB

english, 2019

29

High-Throughput Computational Search for Half-Metallic Oxides

Liyanage, Laalitha S. I., SÅawiÅska, Jagoda, Gopal, Priya, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco

Journal:

Year:

2020

File:

PDF, 1.02 MB

2020

30

Decoupling Local Disorder and Optical Effects in Infrared Spectra: Differentiating Between Calcites with Different Origins

Kristin M. Poduska, Lior Regev, Elisabetta Boaretto, Lia Addadi, Steve Weiner, Leeor Kronik, Stefano Curtarolo

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 374 KB

english, 2011

31

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

Ohad Levy, Roman V. Chepulskii, Gus L. W. Hart, Stefano Curtarolo

Journal:

Year:

2010

File:

PDF, 16 KB

2010

32

ChemInform Abstract: Predictions of the Pt8Ti Phase in Unexpected Systems.

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

Journal:

Year:

2010

Language:

english

File:

PDF, 19 KB

english, 2010

33

Thermodynamics of carbon in iron nanoparticles at low temperature: Reduced solubility and size-induced nucleation of cementite

Stefano Curtarolo, Neha Awasthi, Wahyu Setyawan, Na Li, Aiqin Jiang, Teh Y. Tan, Elena Mora, Kim Bolton, Avetik R. Harutyunyan

Journal:

Physics Procedia

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

34

Calculation of solubility in titanium alloys from first principles

Roman V. Chepulskii, Stefano Curtarolo

Journal:

Acta Materialia

Year:

2009

Language:

english

File:

PDF, 739 KB

english, 2009

35

Hafnium binary alloys from experiments and first principles

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

Journal:

Acta Materialia

Year:

2010

Language:

english

File:

PDF, 452 KB

english, 2010

36

Size dependent melting mechanisms of iron nanoclusters

Haiming Duan, Feng Ding, Arne Rosén, Avetik R. Harutyunyan, Stefano Curtarolo, Kim Bolton

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 617 KB

english, 2007

37

Initial growth of single-walled carbon nanotubes on supported iron clusters: a molecular dynamics study

H. Duan, F. Ding, A. Rosén, A. Harutyunyan, T. Tokune, S. Curtarolo, K. Bolton

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2007

Language:

english

File:

PDF, 224 KB

english, 2007

38

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

Yang, Kesong, Setyawan, Wahyu, Wang, Shidong, Buongiorno Nardelli, Marco, Curtarolo, Stefano

Journal:

Nature Materials

Year:

2012

Language:

english

File:

PDF, 1.04 MB

english, 2012

39

Modeling the melting of supported clusters

Ding, Feng, Rosen, Arne, Curtarolo, Stefano, Bolton, Kim

Journal:

Applied Physics Letters

Year:

2006

Language:

english

File:

PDF, 533 KB

english, 2006

40

Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles

Jiang, Aiqin, Awasthi, Neha, Kolmogorov, Aleksey, Setyawan, Wahyu, Börjesson, Anders, Bolton, Kim, Harutyunyan, Avetik, Curtarolo, Stefano

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 921 KB

english, 2007

41

Gas–Surface Interactions on Quasicrystals

Stefano Curtarolo, Wahyu Setyawan, Renee D. Diehl

Journal:

Israel Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 5.77 MB

english, 2011

42

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

Roman V. Chepulskii, W.H. Butler, A. van de Walle, Stefano Curtarolo

Journal:

Scripta Materialia

Year:

2010

Language:

english

File:

PDF, 642 KB

english, 2010

43

Uptake of gases in bundles of carbon nanotubes

Stan, George, Bojan, Mary, Curtarolo, Stefano, Gatica, Silvina, Cole, Milton

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 106 KB

english, 2000

44

Ab initio lattice stability in comparison with CALPHAD lattice stability

Y. Wang, S. Curtarolo, C. Jiang, R. Arroyave, T. Wang, G. Ceder, L.-Q. Chen, Z.-K. Liu

Journal:

Year:

2004

Language:

english

File:

PDF, 618 KB

english, 2004

45

High-throughput ab initio analysis of the Bi–In, Bi–Mg, Bi–Sb, In–Mg, In–Sb, and Mg–Sb systems

Stefano Curtarolo, Aleksey N. Kolmogorov, Franklin Hadley Cocks

Journal:

Year:

2005

Language:

english

File:

PDF, 1011 KB

english, 2005

46

Density functional study of the L10–αIrV transition in IrV and RhV

Michael J. Mehl, Gus L.W. Hart, Stefano Curtarolo

Journal:

Journal of Alloys and Compounds

Year:

2011

Language:

english

File:

PDF, 781 KB

english, 2011

47

Dynamics of an Inhomogeneously Coarse Grained Multiscale System

Curtarolo, Stefano, Ceder, Gerbrand

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 141 KB

english, 2002

48

Accelerating disorder–order transitions of FePt by preforming a metastable AgPt phase

Wei-Chih Wen, Roman V. Chepulskii, Liang-Wei Wang, Stefano Curtarolo, Chih-Huang Lai

Journal:

Acta Materialia

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

49

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

Rohrer, Gregory S., Affatigato, Mario, Backhaus, Monika, Bordia, Rajendra K., Chan, Helen M., Curtarolo, Stefano, Demkov, Alex, Eckstein, James N., Faber, Katherine T., Garay, Javier E., Gogotsi, Yury

Journal:

Journal of the American Ceramic Society

Year:

2012

Language:

english

File:

PDF, 2.40 MB

english, 2012

50

Thermopower of Molecular Junctions: An ab Initio Study

Ke, San-Huang, Yang, Weitao, Curtarolo, Stefano, Baranger, Harold U.

Journal:

Year:

2009

Language:

english

File:

PDF, 254 KB

english, 2009