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1

dielectrics: Comparison between the silicates and oxides of hafnium and zirconium

Rignanese, G.-M., Gonze, X., Jun, Gyuchang, Cho, Kyeongjae, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 200 KB

english, 2004

2

Scaling hypothesis for corrections to total energy and stress in plane-wave-based ab initio calculations

Rignanese, G.-M., Ghosez, Ph., Charlier, J.-C., Michenaud, J.-P., Gonze, X.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 736 KB

english, 1995

3

[ASME ASME Turbo Expo 2010: Power for Land, Sea, and Air - Glasgow, UK (June 14–18, 2010)] Volume 5: Industrial and Cogeneration; Microturbines and Small Turbomachinery; Oil and Gas Applications; Wind Turbine Technology - A High-Efficiency Heat Exchanger for Closed Cycle and Heat Recovery Gas Turbines

Catalano, Luciano Andrea, De Bellis, Fabio, Amirante, Riccardo, Rignanese, Matteo

Year:

2010

Language:

english

File:

PDF, 567 KB

english, 2010

4

Erratum: Titanium oxides and silicates as high-κ dielectrics: A first-principles investigation by G.-M. Rignanese, X. Rocquefelte, X. Gonze, Alfredo Pasquarello

G.-M. Rignanese, X. Rocquefelte, X. Gonze, Alfredo Pasquarello

Journal:

International Journal of Quantum Chemistry

Year:

2005

File:

PDF, 40 KB

2005

5

First-principles computation of material properties: the ABINIT software project

X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan

Journal:

Computational Materials Science

Year:

2002

Language:

english

File:

PDF, 160 KB

english, 2002

6

Ab initio study of the volume dependence of dynamical and thermodynamical properties of silicon

Rignanese, G.-M., Michenaud, J.-P., Gonze, X.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 199 KB

english, 1996

7

[IEEE 2012 IEEE Symposium on VLSI Technology - Honolulu, HI, USA (2012.06.12-2012.06.14)] 2012 Symposium on VLSI Technology (VLSIT) - Field-driven ultrafast sub-ns programming in W\Al2O3\Ti\CuTe-based 1T1R CBRAM system

Goux, L., Sankaran, K., Kar, G., Jossart, N., Opsomer, K., Degraeve, R., Pourtois, G., Rignanese, G.-M., Detavernier, C., Clima, S., Chen, Y.-Y., Fantini, A., Govoreanu, B., Wouters, D.J., Jurczak, M.

Year:

2012

Language:

english

File:

PDF, 1018 KB

english, 2012

8

Modeling of Copper Diffusion in Amorphous Aluminum Oxide in CBRAM Memory Stack

Sankaran, K., Goux, L., Clima, S., Mees, M., Kittl, J. A., Jurczak, M., Altimime, L., Rignanese, G.-M., Pourtois, G.

Journal:

ECS Transactions

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

9

The LaBr 3 (Ce) based detection system for the FAMU experiment

Baldazzi, G., Vacchi, A., Labanti, C., Morgante, G., Fuschino, F., Rignanese, L.P., Rossi, P.L., Mocchiutti, E., Zampa, N., Zampa, G., Rachevski, A., Vallazza, E., D'Antone, I., Zuffa, M., Meneghini,

Journal:

Journal of Instrumentation

Year:

2017

Language:

english

File:

PDF, 2.46 MB

english, 2017

10

An ab initio electronic transport database for inorganic materials

Ricci, Francesco, Chen, Wei, Aydemir, Umut, Snyder, G. Jeffrey, Rignanese, Gian-Marco, Jain, Anubhav, Hautier, Geoffroy

Journal:

Scientific Data

Year:

2017

Language:

english

File:

PDF, 1.42 MB

english, 2017

11

Solving Chemistry Problems via an End-to-End Approach: A Proof of Concept

Liu, Xiaotong, Zhang, Tianfu, Yang, Tao, Liu, Xiulei, Song, Xin, Yang, Yong, Li, Ning, Rignanese, Gian-Marco, Li, Yongwang, Wen, Xiaodong

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 2.76 MB

2020

12

Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

M. Giantomassi, M. Stankovski, R. Shaltaf, M. Grüning, F. Bruneval, P. Rinke, G.-M. Rignanese

Journal:

physica status solidi (b)

Year:

2011

Language:

english

File:

PDF, 766 KB

english, 2011

13

Titanium oxides and silicates as high-κ dielectrics: A first-principles investigation

G.-M. Rignanese, X. Rocquefelte, X. Gonze, Alfredo Pasquarello

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

14

Characterization and Genetic Study of the OvineαS2-Casein (CSN1S2) AlleleB

G. Picariello, D. Rignanese, S. Chessa, G. Ceriotti, A. Trani, A. Caroli, A. Di Luccia

Journal:

The Protein Journal

Year:

2009

Language:

english

File:

PDF, 394 KB

english, 2009

15

Electronic Properties of Hybrid Zinc Oxide–Oligothiophene Nanostructures

Caddeo, Claudia, Malloci, Giuliano, Rignanese, Gian-Marco, Colombo, Luciano, Mattoni, Alessandro

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 376 KB

english, 2012

16

New genetic polymorphisms within ovine β- and αS2-caseins

S. Chessa, D. Rignanese, M. Berbenni, G. Ceriotti, M. Martini, G. Pagnacco, A. Caroli

Journal:

Small Ruminant Research

Year:

2010

Language:

english

File:

PDF, 426 KB

english, 2010

17

First-principle studies of the lattice dynamics of crystals, and related properties

Gonze, Xavier, Rignanese, Gian-Marco, Caracas, Razvan

Journal:

Zeitschrift für Kristallographie

Year:

2005

Language:

english

File:

PDF, 404 KB

english, 2005

18

Characterization of the Casein Gene Complex in West African Goats and Description of a New αs1-Casein Polymorphism

A. Caroli, F. Chiatti, S. Chessa, D. Rignanese, E.M. Ibeagha-Awemu, G. Erhardt

Journal:

Journal of Dairy Science

Year:

2007

Language:

english

File:

PDF, 361 KB

english, 2007

19

Short Communication: Carora Cattle Show High Variability in αs1-Casein

A. Caroli, S. Chessa, F. Chiatti, D. Rignanese, B. Meléndez, R. Rizzi, G. Ceriotti

Journal:

Journal of Dairy Science

Year:

2008

Language:

english

File:

PDF, 280 KB

english, 2008

20

Short Communication: The β-Casein (CSN2) Silent Allele C1 Is Highly Spread in Goat Breeds

S. Chessa, D. Rignanese, J. Küpper, G. Pagnacco, G. Erhardt, A. Caroli

Journal:

Journal of Dairy Science

Year:

2008

Language:

english

File:

PDF, 310 KB

english, 2008

21

The Garfagnina goat: A zootechnical overview of a local dairy population

M. Martini, F. Salari, I. Altomonte, D. Rignanese, S. Chessa, C. Gigliotti, A. Caroli

Journal:

Journal of Dairy Science

Year:

2010

Language:

english

File:

PDF, 443 KB

english, 2010

22

Goat milk allergenicity as a function of αS1-casein genetic polymorphism

C. Ballabio, S. Chessa, D. Rignanese, C. Gigliotti, G. Pagnacco, L. Terracciano, A. Fiocchi, P. Restani, A.M. Caroli

Journal:

Journal of Dairy Science

Year:

2011

Language:

english

File:

PDF, 332 KB

english, 2011

23

Focusing on the Goat Casein Complex

A. Caroli, F. Chiatti, S. Chessa, D. Rignanese, P. Bolla, G. Pagnacco

Journal:

Journal of Dairy Science

Year:

2006

Language:

english

File:

PDF, 413 KB

english, 2006

24

First-principles study of dynamical and dielectric properties of tetragonal zirconia

Rignanese, G.-M., Detraux, F., Gonze, X., Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 77 KB

english, 2001

25

Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2×1 surface: a first-principles study

G.-M Rignanese, Alfredo Pasquarello

Journal:

Surface Science

Year:

2001

Language:

english

File:

PDF, 220 KB

english, 2001

26

Band structure of gold from many-body perturbation theory

Rangel, T., Kecik, D., Trevisanutto, P. E., Rignanese, G.-M., Van Swygenhoven, H., Olevano, V.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

27

Effects of plasmon pole models on the G0W0electronic structure of various oxides

Miglio, A., Waroquiers, D., Antonius, G., Giantomassi, M., Stankovski, M., Côté, M., Gonze, X., Rignanese, G. -M.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

28

Molecular subdivision of the marine diatomThalassiosira rotulain relation to geographic distribution, genome size, and physiology

Kerry A Whittaker, Dayna R Rignanese, Robert J Olson, Tatiana A Rynearson

Journal:

BMC Evolutionary Biology

Year:

2012

Language:

english

File:

PDF, 525 KB

english, 2012

29

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

Waroquiers, David, Lherbier, Aurélien, Miglio, Anna, Stankovski, Martin, Poncé, Samuel, Oliveira, Micael J. T., Giantomassi, Matteo, Rignanese, Gian-Marco, Gonze, Xavier

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 2.02 MB

english, 2013

30

Technical Note: Simultaneous Identification of CSN1S2 A, B, C, and E Alleles in Goats by Polymerase Chain Reaction-Single Strand Conformation Polymorphism

S. Chessa, D. Rignanese, F. Chiatti, A. Radeghieri, C. Gigliotti, A. Caroli

Journal:

Journal of Dairy Science

Year:

2008

Language:

english

File:

PDF, 682 KB

english, 2008

31

Origin of Magnetism and Quasiparticles Properties in Cr-Doped

Da Pieve, F., Di Matteo, S., Rangel, T., Giantomassi, M., Lamoen, D., Rignanese, G.-M., Gonze, X.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 571 KB

english, 2013

32

Ideal strength of silicon: An ab initio study

Dubois, S. M.-M., Rignanese, G.-M., Pardoen, T., Charlier, J.-C.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 273 KB

english, 2006

33

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

Bilc, D. I., Orlando, R., Shaltaf, R., Rignanese, G.-M., Íñiguez, Jorge, Ghosez, Ph.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 355 KB

english, 2008

34

Electronic Structure of Carbon Nanocones

Charlier, Jean-Christophe, Rignanese, Gian-Marco

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 211 KB

english, 2001

35

study

Espejo, C., Rangel, T., Romero, A. H., Gonze, X., Rignanese, G.-M.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

36

carbon phase

Rignanese, G.-M., Charlier, J.-C.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 1.88 MB

english, 2008

37

Dielectric properties of crystalline and amorphous transition metal oxides and silicates as potential high-κ candidates: the contribution of density-functional theory

Journal:

Journal of Physics Condensed Matter

Year:

2005

Language:

english

File:

PDF, 663 KB

english, 2005

38

Identification and design principles of low hole effective mass p-type transparent conducting oxides

Hautier, Geoffroy, Miglio, Anna, Ceder, Gerbrand, Rignanese, Gian-Marco, Gonze, Xavier

Journal:

Nature Communications

Year:

2013

Language:

english

File:

PDF, 674 KB

english, 2013

39

First-principles molecular-dynamics investigation of the hydration mechanisms of the (0001) ?-quartz surfacePresented at the 81st International Bunsen Discussion Meeting on ?Interfacial Water in Chemistry and Biology?, Velen, Germany, September 19?23, 2003.

Rignanese, G.-M., Charlier, J.-C., Gonze, X.

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 597 KB

english, 2004

40

Structural and vibrational stability of M and Z phases of silicon and germanium from first principles

Bautista-Hernández, A., Rangel, T., Romero, A. H., Rignanese, G.-M., Salazar-Villanueva, M., Chigo-Anota, E.

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 2.76 MB

english, 2013

41

First-principles study of structural, electronic, dynamical, and dielectric properties of zircon

Rignanese, G.-M., Gonze, X., Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 83 KB

english, 2001

42

band gap of ZnO: Effects of plasmon-pole models

Stankovski, M., Antonius, G., Waroquiers, D., Miglio, A., Dixit, H., Sankaran, K., Giantomassi, M., Gonze, X., Côté, M., Rignanese, G.-M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 618 KB

english, 2011

43

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

He, Lianhua, Liu, Fang, Hautier, Geoffroy, Oliveira, Micael J. T., Marques, Miguel A. L., Vila, Fernando D., Rehr, J. J., Rignanese, G.-M., Zhou, Aihui

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 951 KB

english, 2014

44

First-principles modeling of intrinsic and extrinsic defects in γ-Al[sub 2]O[sub 3]

Sankaran, K., Pourtois, G., Degraeve, R., Zahid, M. B., Rignanese, G.-M., Van Houdt, J.

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 282 KB

english, 2010

45

surface

Rignanese, G.-M., De Vita, Alessandro, Charlier, J.-C., Gonze, X., Car, Roberto

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 419 KB

english, 2000

46

Semiconductors: The Case of the Clathrates

Connétable, D., Timoshevskii, V., Masenelli, B., Beille, J., Marcus, J., Barbara, B., Saitta, A. M., Rignanese, G.-M., Mélinon, P., Yamanaka, S., Blase, X.

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 183 KB

english, 2003

47

approximation and the validity of scissor shifts

Peelaers, H., Partoens, B., Giantomassi, M., Rangel, T., Goossens, E., Rignanese, G.-M., Gonze, X., Peeters, F. M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 373 KB

english, 2011

48

Electronic Transport Properties of 1,1′-Ferrocene Dicarboxylic Acid Linked to Al(111) Electrodes

Morari, Cristian, Rungger, Ivan, Rocha, Alexandre R., Sanvito, Stefano, Melinte, Sorin, Rignanese, Gian-Marco

Journal:

Year:

2009

Language:

english

File:

PDF, 3.09 MB

english, 2009

49

How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

Hautier, Geoffroy, Miglio, Anna, Waroquiers, David, Rignanese, Gian-Marco, Gonze, Xavier

Journal:

Chemistry of Materials

Year:

2014

Language:

english

File:

PDF, 733 KB

english, 2014

50

Room Temperature Peierls Distortion in Small Diameter Nanotubes

Connétable, D., Rignanese, G.-M., Charlier, J.-C., Blase, X.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 759 KB

english, 2005

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