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1

Nonequilibrium free-energy calculation of solids using LAMMPS

Freitas, Rodrigo, Asta, Mark, de Koning, Maurice

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 715 KB

english, 2016

2

First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

G. Ghosh, A. van de Walle, M. Asta

Journal:

Acta Materialia

Year:

2008

Language:

english

File:

PDF, 971 KB

english, 2008

3

Reliability-based optimal design of nonlinear viscous dampers for the seismic protection of structural systems

Altieri, Domenico, Tubaldi, Enrico, De Angelis, Marco, Patelli, Edoardo, Dall’Asta, Andrea

Journal:

Bulletin of Earthquake Engineering

Year:

2017

Language:

english

File:

PDF, 4.02 MB

english, 2017

4

Satiating Effect of a Ketogenic Diet and Its Impact on Muscle Improvement and Oxidation State in Multiple Sclerosis Patients

Benlloch, María, López-Rodríguez, María Mar, Cuerda-Ballester, María, Drehmer, Eraci, Carrera, Sandra, Ceron, Jose Joaquin, Tvarijonaviciute, Asta, Chirivella, Javier, Fernández-García, David, de la R

Journal:

Year:

2019

Language:

english

File:

PDF, 1.66 MB

english, 2019

5

PERCEPÃÃO DE PAIS ACERCA DO IMPACTO DE TECNOLOGIAS NO VIVER SAUDÃVEL DOS SEUS FILHOS

Medianeira Gomes Correa, Aline, Dall'Asta Pereira, Adriana, Stein Backes, Dirce, De Lima Ferreira, Carla Lizandra, Signor, Eduarda, Kulakowski Obem, Marielle

Journal:

Cogitare Enfermagem

Year:

2015

File:

PDF, 127 KB

2015

6

First-principles phase-stability study of fcc alloys in the Ti-Al system

Asta, Mark, de Fontaine, Didier, van Schilfgaarde, Mark, Sluiter, Marcel, Methfessel, Michael

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 956 KB

english, 1992

7

Efficient stochastic generation of special quasirandom structures

van de Walle, A., Tiwary, P., de Jong, M., Olmsted, D.L., Asta, M., Dick, A., Shin, D., Wang, Y., Chen, L.-Q., Liu, Z.-K.

Journal:

Year:

2013

Language:

english

File:

PDF, 490 KB

english, 2013

8

Theoretical study of alloy phase stability in the Cd-Mg system

Asta, Mark, McCormack, Ryan, de Fontaine, Didier

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 831 KB

english, 1993

9

hcp Ising model in the cluster-variation approximation

McCormack, R., Asta, M., de Fontaine, D., Garbulsky, G., Ceder, G.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 651 KB

english, 1993

10

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

11

Creativity as action: findings from five creative domains

Glaveanu, Vlad, Lubart, Todd, Bonnardel, Nathalie, Botella, Marion, Biaisi, Pierre-Marc de, Desainte-Catherine, Myriam, Georgsdottir, Asta, Guillou, Katell, Kurtag, Gyorgy, Mouchiroud, Christophe, Sto

Journal:

Frontiers in Psychology

Year:

2013

Language:

english

File:

PDF, 2.14 MB

english, 2013

12

Atentando para as singularidades humanas na atenção à saúde por meio do diálogo e acolhimento

Pereira, Adriana Dall'Asta, Freitas, Hilda Maria Barbosa de, Ferreira, Carla Lizandra de Lima, Marchiori, Mara Regina Caino Teixeira, Souza, Martha Helena Teixeira, Backes, Dirce Stein

Journal:

Revista Gaúcha de Enfermagem

Year:

2010

File:

PDF, 43 KB

2010

13

Drug initiation and abuse during adolescence: a narrative review / A iniciação e abuso de drogas na adolescência: revisão narrativa

Ventura, Jeferson, Ribas, Taciano, Gehlen, Maria Helena, De Paula, Saul Ferraz, Ferreira, Carla Lizandra, Pereira, Adriana Dall’asta

Journal:

Revista de Pesquisa Cuidado é Fundamental Online

Year:

2018

File:

PDF, 376 KB

2018

14

Computation of the OI-OII-OIII phase diagram and local oxygen configurations for YBa2Cu3Oz with z between 6.5 and 7

G. Ceder, M. Asta, M. de Fontaine

Journal:

Physica C: Superconductivity

Year:

1991

Language:

english

File:

PDF, 844 KB

english, 1991

15

The occurrence of ochratoxin A in blue cheese

Chiara Dall’Asta, Juliano De Dea Lindner, Gianni Galaverna, Arnaldo Dossena, Erasmo Neviani, Rosangela Marchelli

Journal:

Year:

2008

Language:

english

File:

PDF, 432 KB

english, 2008

16

Synthesis of alkyl 2-(bromomethyl)aziridine-2-carboxylates and alkyl 3-bromoazetidine-3-carboxylates as amino acid building blocks

Sven Mangelinckx, Asta Žukauskaitė, Vida Buinauskaitė, Algirdas Šačkus, Norbert De Kimpe

Journal:

Tetrahedron Letters

Year:

2008

Language:

english

File:

PDF, 186 KB

english, 2008

17

A new validated HPLC-FLD method for detecting ochratoxin A in dry-cured meat and in blue cheese

C. Dall’Asta, G. Galaverna, J. De Dea Lindner, R. Virgili, E. Neviani, A. Dossena

Journal:

Mycotoxin Research

Year:

2007

Language:

english

File:

PDF, 520 KB

english, 2007

18

A systematic approach for structuring exception handling in robust component-based software

Fernando Castor Filho, Paulo Asterio de C. Guerra, Vinicius Asta Pagano, Cecília Mary F. Rubira

Journal:

Journal of the Brazilian Computer Society

Year:

2004

Language:

english

File:

PDF, 1.06 MB

english, 2004

19

Synthesis of new functionalized aziridine-2- and azetidine-3-carboxylic acid derivatives of potential interest for biological and foldameric applications

Asta Žukauskaitė, Sven Mangelinckx, Vida Buinauskaitė, Algirdas Šačkus, Norbert De Kimpe

Journal:

Year:

2011

Language:

english

File:

PDF, 508 KB

english, 2011

20

First-principles investigation of perfect and diffuse antiphase boundaries in HCP-based Ti-Al alloys

A. van de Walle, M. Asta

Journal:

Metallurgical and Materials Transactions A

Year:

2002

Language:

english

File:

PDF, 130 KB

english, 2002

21

First-principles investigation of perfect and diffuse antiphase boundaries in HCP-based Ti-Al alloys

A. Van De Walle, M. Asta

Journal:

Metallurgical and Materials Transactions A

Year:

2002

Language:

english

File:

PDF, 134 KB

english, 2002

22

First-Principles Phase Stability Calculations of Pseudobinary Alloys of (Al,Zn)3Ti withL12,D022, andD023Structures

Gautam Ghosh, Axel van de Walle, Mark Asta

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2007

Language:

english

File:

PDF, 606 KB

english, 2007

23

Cholesterol crystal embolization caused by anticoagulant therapy

Arthur Fernandes Cortez, Thais Harumi Sakuma, Ricardo Barbosa Lima, Wagner Martignoni De Figueiredo, Heliomar de Azevedo Valle, Fernanda Amorim Tolstoy, Daniel Dal’Asta Coimbra, Omar Lupi

Journal:

International Journal of Dermatology

Year:

2009

Language:

english

File:

PDF, 181 KB

english, 2009

24

Low-temperature long-range oxygen order in YBa2Cu3O z

de Fontaine, D., Ceder, G., Asta, M.

Journal:

Year:

1990

File:

PDF, 343 KB

1990

25

Atomic-Scale Simulation Study of Equilibrium Solute Adsorption at Alloy Solid-Liquid Interfaces

H. Ramalingam, M. Asta, A. van de Walle, J.J. Hoyt

Journal:

Interface Science

Year:

2002

Language:

english

File:

PDF, 1.06 MB

english, 2002

26

Charge-Compensating Pyrophosphate Defect Structures in Sr-doped LaPO4

Solomon, J., Adelstein, N., Asta, M., De Jonghe, L. C.

Journal:

ECS Transactions

Year:

2012

Language:

english

File:

PDF, 422 KB

english, 2012

27

Thermodynamics of oxygen ordering in YBa2Cu3Oz

D. de Fontaine, G. Ceder, M. Asta

Journal:

Journal of the Less Common Metals

Year:

1990

Language:

english

File:

PDF, 1.02 MB

english, 1990

28

Arsenopyrite dissolution rates in O2-bearing solutions

Maria P. Asta, Jordi Cama, Carlos Ayora, Patricia Acero, Giovanni de Giudici

Journal:

Chemical Geology

Year:

2010

Language:

english

File:

PDF, 1.34 MB

english, 2010

29

The alloy theoretic automated toolkit: A user guide

A. van de Walle, M. Asta, G. Ceder

Journal:

Year:

2002

Language:

english

File:

PDF, 1.28 MB

english, 2002

30

Phase stability of the Hf-Nb system: From first-principles to CALPHAD

G. Ghosh, A. van de Walle, M. Asta, G.B. Olson

Journal:

Year:

2002

Language:

english

File:

PDF, 1.58 MB

english, 2002

31

Toward a total energy tight-binding Hamiltonian based on the linear-muffin-tin-orbital method

Dane Morgan, Didier de Fontaine, Mark Asta

Journal:

Computational Materials Science

Year:

1997

Language:

english

File:

PDF, 755 KB

english, 1997

32

Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al

J.D. Althoff, Dane Morgan, D. de Fontaine, M.D. Asta, S.M. Foiles, D.D. Johnson

Journal:

Computational Materials Science

Year:

1998

Language:

english

File:

PDF, 417 KB

english, 1998

33

Prediction of ordered superstructure phase equilibria

D. de Fontaine, C. Wolverton, M. Asta, G. Ceder

Journal:

Journal of Phase Equilibria

Year:

1992

Language:

english

File:

PDF, 560 KB

english, 1992

34

Masked mycotoxins: A review

Berthiller, Franz, Crews, Colin, Dall'Asta, Chiara, Saeger, Sarah De, Haesaert, Geert, Karlovsky, Petr, Oswald, Isabelle P., Seefelder, Walburga, Speijers, Gerrit, Stroka, Joerg

Journal:

Molecular Nutrition & Food Research

Year:

2013

Language:

english

File:

PDF, 655 KB

english, 2013

35

One- and two-dimensional oxygen ordering in YBa2Cu3Oz

M. Asta, D. de Fontaine, G. Ceder, E. Salomons, M. Kraitchman

Journal:

Journal of the Less Common Metals

Year:

1991

Language:

english

File:

PDF, 1.02 MB

english, 1991

36

Synthesis of 1,5-diazaspiro[2.3]hexanes, a novel diazaspirocyclic system

Žukauskaitė, Asta, Mangelinckx, Sven, Callebaut, Gert, Wybon, Clarence, Šačkus, Algirdas, De Kimpe, Norbert

Journal:

Year:

2013

Language:

english

File:

PDF, 356 KB

english, 2013

37

First-principles calculation of the effect of strain on the diffusion of Ge adatoms on Si and Ge(001) surfaces

van de Walle, A., Asta, M., Voorhees, P. W.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 174 KB

english, 2003

38

Synthesis and Conformational Study of Model Peptides Containing N -Substituted 3-Aminoazetidine-3-carboxylic Acids

Žukauskaitė, Asta, Moretto, Alessandro, Peggion, Cristina, De Zotti, Marta, Šačkus, Algirdas, Formaggio, Fernando, De Kimpe, Norbert, Mangelinckx, Sven

Journal:

European Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 793 KB

english, 2014

39

Effect of ambient temperature and air pollutants on the risk of preterm birth, Rome 2001–2010

Schifano, Patrizia, Lallo, Adele, Asta, Federica, De Sario, Manuela, Davoli, Marina, Michelozzi, Paola

Journal:

Environment International

Year:

2013

Language:

english

File:

PDF, 940 KB

english, 2013

40

Ab Initio Calculation of Proton Transport in DyPO 4

Markus, Isaac M., Adelstein, Nicole, Asta, Mark, De Jonghe, Lutgard C.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.74 MB

english, 2014

41

Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations

Liu, Jefferson Z., van de Walle, A., Ghosh, G., Asta, M.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 183 KB

english, 2005

42

Congestion phenomena on complex networks

De Martino, Daniele, Dall’Asta, Luca, Bianconi, Ginestra, Marsili, Matteo

Journal:

Physical Review E

Year:

2009

Language:

english

File:

PDF, 126 KB

english, 2009

43

Density functional theory based calculation of small-polaron mobility in hematite

Adelstein, Nicole, Neaton, Jeffrey B., Asta, Mark, De Jonghe, Lutgard C.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 772 KB

english, 2014

44

[American Society of Civil Engineers Second International Conference on Vulnerability and Risk Analysis and Management (ICVRAM) and the Sixth International Symposium on Uncertainty, Modeling, and Analysis (ISUMA) - Liverpool, UK (July 13-16, 2014)] Vulnerability, Uncertainty, and Risk - Reliability-Based Design of Fluid Viscous Damper for Seismic Protection of Building Frames

Tubaldi, E., Dall'Asta, A., Broggi, M., Patelli, E., De Angelis, M.

Year:

2014

Language:

english

File:

PDF, 237 KB

english, 2014

45

In Vitro Bioaccessibility of Phenolics and Vitamins from Durum Wheat Aleurone Fractions

Zaupa, Maria, Scazzina, Francesca, Dall’Asta, Margherita, Calani, Luca, Del Rio, Daniele, Bianchi, Marta A., Melegari, Camilla, De Albertis, Pietro, Tribuzio, Giovanni, Pellegrini, Nicoletta, Brighent

Journal:

Journal of Agricultural and Food Chemistry

Year:

2014

Language:

english

File:

PDF, 1.97 MB

english, 2014

46

First-principles studies of proton-Ba interactions in doped LaPO4

Adelstein, Nicole, Neaton, Jeffrey B., Asta, Mark, De Jonghe, Lutgard C.

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 610 KB

english, 2012

47

Endothelin-1 Up-Regulates p115RhoGEF in Embryonic Rat Cardiomyocytes During the Hypertrophic Response

PORCHIA, FRANCESCA, PAPUCCI, MARA, GARGINI, CLAUDIA, ASTA, ANTONELLA, DE MARCO, GIUSEPPINA, AGRETTI, PATRIZIA, TONACCHERA, MASSIMO, MAZZONI, MARIA ROSA

Journal:

Journal of Receptor and Signal Transduction Research

Year:

2008

Language:

english

File:

PDF, 1.60 MB

english, 2008

48

First-principles study of the structural and elastic properties of rhenium-based transition-metal alloys

de Jong, Maarten, Olmsted, David L., van de Walle, Axel, Asta, Mark

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

49

Surface energetics and structure of the Ge wetting layer on Si(100)

Beck, M. J., van de Walle, A., Asta, M.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 220 KB

english, 2004

50

Effective cluster interactions from cluster-variation formalism. II

Wolverton, C., Asta, M., Dreyssé, H., de Fontaine, D.

Journal:

Physical Review B

Year:

1991

Language:

english

File:

PDF, 534 KB

english, 1991