Curtarolo, Stefano: 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

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

5

High-entropy ceramics

Oses, Corey, Toher, Cormac, Curtarolo, Stefano

Journal:

Nature Reviews Materials

Year:

2020

File:

PDF, 2.56 MB

2020

6

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

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

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

9

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

10

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

11

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

12

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

13

The 2018 Materials by Design Roadmap

Alberi, Kirstin, Buongiorno Nardelli, Marco, Zakutayev, Andriy, Mitas, Lubos, Curtarolo, Stefano, Jain, Anubhav, Fornari, Marco, Marzari, Nicola, Takeuchi, Ichiro, Green, Martin L, Kanatzidis, Mercour

Journal:

Journal of Physics D Applied Physics

Year:

2018

Language:

english

File:

PDF, 11.22 MB

english, 2018

14

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

15

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

16

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

17

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

18

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

19

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

20

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

21

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

22

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

23

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

24

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

25

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

26

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

27

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

28

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

29

Revealing the Impact of Catalyst Phase Transition on Carbon Nanotube Growth by in Situ Raman Spectroscopy

Rao, Rahul, Pierce, Neal, Liptak, David, Hooper, Daylond, Sargent, Gordon, Semiatin, S. Lee, Curtarolo, Stefano, Harutyunyan, Avetik R., Maruyama, Benji

Journal:

Year:

2013

Language:

english

File:

PDF, 2.56 MB

english, 2013

30

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional

Gopal, Priya, Fornari, Marco, Curtarolo, Stefano, Agapito, Luis A., Liyanage, Laalitha S. I., Nardelli, Marco Buongiorno

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

31

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

Hever, Alon, Oses, Corey, Curtarolo, Stefano, Levy, Ohad, Natan, Amir

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 8.42 MB

english, 2017

32

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

Perim, Eric, Lee, Dongwoo, Liu, Yanhui, Toher, Cormac, Gong, Pan, Li, Yanglin, Simmons, W. Neal, Levy, Ohad, Vlassak, Joost J., Schroers, Jan, Curtarolo, Stefano

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 3.89 MB

english, 2016

33

Systematic band-gap tuning of BaSnO 3 via chemical substitutions: the role of clustering in mixed-valence perovskites

Lee, Seunghun, Wang, Haihang, Gopal, Priya, Shin, Jongmoon, Jaim, H. M. Iftekhar, Zhang, Xiaohang, Jeong, Se-Young, Usanmaz, Demet, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco, Take

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 861 KB

english, 2017

34

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

Lederer, Yoav, Toher, Cormac, Vecchio, Kenneth S., Curtarolo, Stefano

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 3.11 MB

english, 2018

35

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

Oses, Corey, Toher, Cormac, Curtarolo, Stefano

Journal:

Year:

2018

Language:

english

File:

PDF, 3.49 MB

english, 2018

36

Mechanical Properties of Chemically Modified Clay

Gusmão, Marta S. S., Gopal, Priya, Siloi, Ilaria, Curtarolo, Stefano, Fornari, Marco, Nardelli, Marco Buongiorno

Journal:

Scientific Reports

Year:

2019

Language:

english

File:

PDF, 1.24 MB

english, 2019

37

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

38

First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys

Chepulskii, Roman V., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 661 KB

english, 2009

39

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

Agapito, Luis A., Fornari, Marco, Ceresoli, Davide, Ferretti, Andrea, Curtarolo, Stefano, Nardelli, Marco Buongiorno

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

40

Spinodal superlattices of topological insulators

Usanmaz, Demet, Nath, Pinku, Toher, Cormac, Plata, Jose Javier, Friedrich, Rico, Fornari, Marco, Buongiorno Nardelli, Marco, Curtarolo, Stefano

Journal:

Chemistry of Materials

Year:

2018

Language:

english

File:

PDF, 3.69 MB

english, 2018

41

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

42

SPIE Proceedings [SPIE International Conference on Fiber Optics and Photonics: Selected Papers from Photonics India '98 - New Delhi, India (Monday 14 December 1998)] International Conference on Fiber Optics and Photonics: Selected Papers from Photonics India '98 - Lossless tapers, Gaussian beams, and free-space modes: standing waves versus through-flowing waves

Capobianco, Antonio D., Midrio, Michele, Someda, Carlo G., Curtarolo, Stefano, Sharma, Anurag, Gupta, Banshi D., Ghatak, Ajoy K.

Year:

1999

Language:

english

File:

PDF, 893 KB

english, 1999

43

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

Hicks, David, Oses, Corey, Gossett, Eric, Gomez, Geena, Taylor, Richard H., Toher, Cormac, Mehl, Michael J., Levy, Ohad, Curtarolo, Stefano

Journal:

Acta Crystallographica Section A Foundations and Advances

Year:

2018

Language:

english

File:

PDF, 1.63 MB

english, 2018

44

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

Setyawan, Wahyu, Gaume, Romain M., Lam, Stephanie, Feigelson, Robert S., Curtarolo, Stefano

Journal:

ACS Combinatorial Science

Year:

2011

Language:

english

File:

PDF, 2.25 MB

english, 2011

45

Characterization of light output and scintillation emission in CsI(Tl), NaI(Tl), and LaBr3(Ce) under isostatic pressure

Gascón, Martín, Lam, Stephanie, Wang, Shidong, Curtarolo, Stefano, Feigelson, Robert S.

Journal:

Radiation Measurements

Year:

2013

Language:

english

File:

PDF, 1010 KB

english, 2013

46

Materials Informatics (Methods, Tools and Applications) || Modeling Materials Quantum Properties with Machine Learning

Isayev, Olexandr, Tropsha, Alexander, Curtarolo, Stefano

Year:

2019

Language:

english

File:

PDF, 243 KB

english, 2019

47

Parametrically constrained geometry relaxations for high-throughput materials science

Lenz, Maja-Olivia, Purcell, Thomas A. R., Hicks, David, Curtarolo, Stefano, Scheffler, Matthias, Carbogno, Christian

Journal:

npj Computational Materials

Year:

2019

Language:

english

File:

PDF, 1.31 MB

english, 2019

48

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

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

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 823 KB

english, 2008

49

Infrared Absorption Spectrum of Brushite from First Principles

Hirsch, Anna, Azuri, Ido, Addadi, Lia, Weiner, Stephen, Yang, Kesong, Curtarolo, Stefano, Kronik, Leeor

Journal:

Chemistry of Materials

Year:

2014

Language:

english

File:

PDF, 2.13 MB

english, 2014

50

Computational study of the thermal behavior of iron clusters on a porous substrate

Börjesson, Anders, Curtarolo, Stefano, Harutyunyan, Avetik R., Bolton, Kim

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

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