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1

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Giannozzi, Paolo, Baroni, Stefano, Bonini, Nicola, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Chiarotti, Guido L, Cococcioni, Matteo, Dabo, Ismaila

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 1.12 MB

english, 2009

2

Advanced capabilities for materials modelling with Quantum ESPRESSO

Andreussi, Oliviero, Brumme, Thomas, Bunau, Oana, Buongiorno Nardelli, Marco, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Cococcioni, Matteo, Colonna, Nicola, Carnimeo, Ivan, D

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 2.03 MB

english, 2017

3

Density functional theory: Fixing Jacob's ladder

Journal:

Nature Chemistry

Year:

2016

Language:

english

File:

PDF, 133 KB

english, 2016

4

Functionalized Single Graphene Sheets Derived from Splitting Graphite Oxide

Schniepp, Hannes C., Li, Je-Luen, McAllister, Michael J., Sai, Hiroaki, Herrera-Alonso, Margarita, Adamson, Douglas H., Prud'homme, Robert K., Car, Roberto, Saville, Dudley A., Aksay, Ilhan A.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 345 KB

english, 2006

5

Prediction of a magnetic Weyl semimetal without spin-orbit coupling and strong anomalous Hall effect in the Heusler compensated ferrimagnet

Shi, Wujun, Muechler, Lukas, Manna, Kaustuv, Zhang, Yang, Koepernik, Klaus, Car, Roberto, van den Brink, Jeroen, Felser, Claudia, Sun, Yan

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

6

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

Zhang, Linfeng, Han, Jiequn, Wang, Han, Car, Roberto, E, Weinan

Journal:

Physical Review Letters

Year:

2018

Language:

english

File:

PDF, 973 KB

english, 2018

7

DeePCG: Constructing coarse-grained models via deep neural networks

Zhang, Linfeng, Han, Jiequn, Wang, Han, Car, Roberto, E, Weinan

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 772 KB

english, 2018

8

The design and environmental evaluation of earth-to-air heat exchangers (EAHE). A literature review

Peretti, Clara, Zarrella, Angelo, De Carli, Michele, Zecchin, Roberto

Journal:

Renewable and Sustainable Energy Reviews

Year:

2013

Language:

english

File:

PDF, 1.87 MB

english, 2013

9

Altered amino acid concentrations in NAFLD: Impact of obesity and insulin resistance

Gaggini, Melania, Carli, Fabrizia, Rosso, Chiara, Buzzigoli, Emma, Marietti, Milena, Della Latta, Veronica, Ciociaro, Demetrio, Abate, Maria Lorena, Gambino, Roberto, Cassader, Maurizio, Bugianesi, El

Journal:

Year:

2017

Language:

english

File:

PDF, 1.35 MB

english, 2017

10

Why Are Water−Hydrophobic Interfaces Charged?

Kudin, Konstantin N., Car, Roberto

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 235 KB

english, 2008

11

Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials

Laasonen, Kari, Pasquarello, Alfredo, Car, Roberto, Lee, Changyol, Vanderbilt, David

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 575 KB

english, 1993

12

Oxygen-Driven Unzipping of Graphitic Materials

Li, Je-Luen, Kudin, Konstantin N., McAllister, Michael J., Prud’homme, Robert K., Aksay, Ilhan A., Car, Roberto

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 892 KB

english, 2006

13

generated by an ab initio molecular-dynamics quench from the melt

Sarnthein, Johannes, Pasquarello, Alfredo, Car, Roberto

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 392 KB

english, 1995

14

Electronic and structural properties of sodium clusters

Martins, José Luís, Buttet, Jean, Car, Roberto

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 724 KB

english, 1985

15

MonoRes: Automatic and Accurate Estimation of Local Resolution for Electron Microscopy Maps

Vilas, Jose Luis, Gómez-Blanco, Josué, Conesa, Pablo, Melero, Roberto, Miguel de la Rosa-Trevín, José, Otón, Joaquin, Cuenca, Jesús, Marabini, Roberto, Carazo, José María, Vargas, Javier, Sorzano, Car

Journal:

Year:

2018

Language:

english

File:

PDF, 3.50 MB

english, 2018

16

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

Chen, Mohan, Zheng, Lixin, Santra, Biswajit, Ko, Hsin-Yu, DiStasio Jr, Robert A., Klein, Michael L., Car, Roberto, Wu, Xifan

Journal:

Nature Chemistry

Year:

2018

Language:

english

File:

PDF, 2.14 MB

english, 2018

17

Comment on “The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water” [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]

Palmer, Jeremy C., Haji-Akbari, Amir, Singh, Rakesh S., Martelli, Fausto, Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 456 KB

english, 2018

18

Molecular targets of atypical antipsychotics: From mechanism of action to clinical differences

Aringhieri, Stefano, Carli, Marco, Kolachalam, Shivakumar, Verdesca, Valeria, Cini, Enrico, Rossi, Mario, McCormick, Peter J., Corsini, Giovanni U., Maggio, Roberto, Scarselli, Marco

Journal:

Pharmacology & Therapeutics

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

19

Q uantum ESPRESSO toward the exascale

Giannozzi, Paolo, Baseggio, Oscar, BonfÃ , Pietro, Brunato, Davide, Car, Roberto, Carnimeo, Ivan, Cavazzoni, Carlo, de Gironcoli, Stefano, Delugas, Pietro, Ferrari Ruffino, Fabrizio, Ferretti, Andrea,

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.61 MB

2020

20

Aberrant interleukin (IL)-4 and IL-5 production in vitro by CD4+ helper T cells from atopic subjects

Paola Parronchi, Marco de Carli, Roberto Manetti, Cecilia Simonelli, Marie-Pierre Piccinni, Donatella Macchia, Enrico Maggi, Gianfranco Del Prete, Mario Ricci, Sergio Romagnani

Journal:

European Journal of Immunology

Year:

1992

Language:

english

File:

PDF, 595 KB

english, 1992

21

Protein-bound glutathione measurement in cultured cells by CZE with LIF detection

Angelo Zinellu, Salvatore Sotgia, Anna Maria Posadino, Valeria Pasciu, Elisabetta Zinellu, Maria Franca Usai, Bastianina Scanu, Roberto Chessa, Leonardo Gaspa, Bruna Tadolini, Luca Deiana, Ciriaco Car

Journal:

ELECTROPHORESIS

Year:

2007

Language:

english

File:

PDF, 321 KB

english, 2007

22

Electronic and structural properties of sodium clusters

JoséLuis Martins, Jean Buttet, Roberto Car

Journal:

Surface Science Letters

Year:

1985

Language:

english

File:

PDF, 44 KB

english, 1985

23

Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature

Federico Zipoli, Roberto Car, Morrel H. Cohen, Annabella Selloni

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 1.96 MB

english, 2011

24

Radiofrequency catheter ablation of cavo-tricuspid isthmus as treatment of atrial flutter in two dogs

Roberto A. Santilli, Manuela Perego, Alberto Perini, Andrea Carli, Paolo Moretti, Gianmario Spadacini

Journal:

Journal of Veterinary Cardiology

Year:

2010

Language:

english

File:

PDF, 670 KB

english, 2010

25

A computational capacity resistance model (CaRM) for vertical ground-coupled heat exchangers

Michele De Carli, Massimo Tonon, Angelo Zarrella, Roberto Zecchin

Journal:

Renewable Energy

Year:

2010

Language:

english

File:

PDF, 1.52 MB

english, 2010

26

Correlated Tunneling in Hydrogen Bonds

Lin Lin, Joseph A. Morrone, Roberto Car

Journal:

Journal of Statistical Physics

Year:

2011

Language:

english

File:

PDF, 824 KB

english, 2011

27

Host pigments: potential facilitators of photosynthesis in coral symbioses

SOPHIE G. DOVE, CARLI LOVELL, MAOZ FINE, JEFFRY DECKENBACK, OVE HOEGH-GULDBERG, ROBERTO IGLESIAS-PRIETO, KENNETH R.N. ANTHONY

Journal:

Plant, Cell & Environment

Year:

2008

Language:

english

File:

PDF, 646 KB

english, 2008

28

Endothelial dysfunction in aged humans is related with oxidative stress and vascular inflammation

Leocadio Rodríguez-Mañas, Mariam El-Assar, Susana Vallejo, Pedro López-Dóriga, Joaquin Solís, Roberto Petidier, Manuel Montes, Julián Nevado, Marta Castro, Carmen Gómez-Guerrero, Concepción Peiró, Car

Journal:

Year:

2009

Language:

english

File:

PDF, 459 KB

english, 2009

29

A 37-Year-Old Woman With Spindle Cells Metaplastic Breast Carcinoma: A Case Characterized by Very Aggressive Clinical Behavior

Loredana Miglietta, Paola Vanella, Roberto Rezzo, Franca Carli, Bruno Spina

Journal:

The Breast Journal

Year:

2010

Language:

english

File:

PDF, 406 KB

english, 2010

30

Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets

Kudin, Konstantin N., Ozbas, Bulent, Schniepp, Hannes C., Prud'homme, Robert K., Aksay, Ilhan A., Car, Roberto

Journal:

Year:

2008

Language:

english

File:

PDF, 456 KB

english, 2008

31

Orbital formulation for electronic-structure calculations with linear system-size scaling

Mauri, Francesco, Galli, Giulia, Car, Roberto

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 260 KB

english, 1993

32

Structural and Electronic Properties of Amorphous Carbon

Galli, Giulia, Martin, Richard M., Car, Roberto, Parrinello, Michele

Journal:

Physical Review Letters

Year:

1989

Language:

english

File:

PDF, 191 KB

english, 1989

33

Dipolar Correlations and the Dielectric Permittivity of Water

Sharma, Manu, Resta, Raffaele, Car, Roberto

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 215 KB

english, 2007

34

Efficient solar water oxidation using photovoltaic devices functionalized with earth-abundant oxygen evolving catalysts

Cristino, Vito, Berardi, Serena, Caramori, Stefano, Argazzi, Roberto, Carli, Stefano, Meda, Laura, Tacca, Alessandra, Bignozzi, Carlo Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.40 MB

english, 2013

35

interface

Pasquarello, Alfredo, Hybertsen, Mark S., Car, Roberto

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 195 KB

english, 1996

36

Nonlinear Economic Dynamics and Financial Modelling ||

Dieci, Roberto, He, Xue-Zhong, Hommes, Cars

Year:

2014

Language:

english

File:

PDF, 10.08 MB

english, 2014

37

Density Functional Theory of the Electrical Conductivity of Molecular Devices

Burke, Kieron, Car, Roberto, Gebauer, Ralph

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 82 KB

english, 2005

38

Band alignment in molecular devices: Influence of anchoring group and metal work function

Wang, Jian-guo, Prodan, Emil, Car, Roberto, Selloni, Annabella

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 687 KB

english, 2008

39

First-principles free-energy calculations on condensed-matter systems: Lattice vacancy in silicon

Smargiassi, Enrico, Car, Roberto

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 101 KB

english, 1996

40

Theory of electronically stimulated defect migration in semiconductors

Pantelides, Sokrates T., Oshiyama, Atsushi, Car, Roberto, Kelly, Paul J.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 296 KB

english, 1984

41

Low- and high-temperature phases of a Pb monolayer on Ge(111) from ab initio molecular dynamics

Ancilotto, Francesco, Selloni, Annabella, Car, Roberto

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 917 KB

english, 1994

42

dc conductance of molecular wires

Prodan, Emil, Car, Roberto

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 607 KB

english, 2007

43

Theoretical Determination of the Vacancy Migration Energy in Silicon

Kelly, P.J., Car, Roberto, Pantelides, Sokrates T.

Journal:

Materials Science Forum

Year:

1986

File:

PDF, 383 KB

1986

44

The Influence of Food Texture and Liquid Consistency Modification on Swallowing Physiology and Function: A Systematic Review

Steele, Catriona M., Alsanei, Woroud Abdulrahman, Ayanikalath, Sona, Barbon, Carly E. A., Chen, Jianshe, Cichero, Julie A. Y., Coutts, Kim, Dantas, Roberto O., Duivestein, Janice, Giosa, Lidia, Hanson

Journal:

Year:

2015

Language:

english

File:

PDF, 577 KB

english, 2015

45

Dissociable Contribution of 5-HT1A and 5-HT2A Receptors in the Medial Prefrontal Cortex to Different Aspects of Executive Control such as Impulsivity and Compulsive Perseveration in Rats

Carli, Mirjana, Baviera, Marta, Invernizzi, Roberto W, Balducci, Claudia

Journal:

Neuropsychopharmacology

Year:

2006

Language:

english

File:

PDF, 295 KB

english, 2006

46

Local structure analysis in ab initio liquid water

Santra, Biswajit, DiStasio, Robert A., Martelli, Fausto, Car, Roberto

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 912 KB

english, 2015

47

Use of Dithiothreitol to Dislodge Bacteria From the Biofilm on an Aortic Valve in the Operating Theatre: A Case of Infective Endocarditis Caused by Staphylococcus aureus and Proteus mirabilis

Rimoldi, Sara G., De Vecchi, Elena, Pagani, Cristina, Zambelli, Agostino, Di Gregorio, Annamaria, Bosisio, Enrica, Vanelli, Paolo, Scrofani, Roberto, Gismondo, Maria R., Cagnoni, Giovanni, Antona, Car

Journal:

The Annals of Thoracic Surgery

Year:

2016

Language:

english

File:

PDF, 867 KB

english, 2016

48

In situ Characterization of Nanoparticles Using Rayleigh Scattering

Santra, Biswajit, Shneider, Mikhail N., Car, Roberto

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 921 KB

english, 2017

49

Analysis of AC Losses in the ITER Central Solenoid Insert Coil

Breschi, Marco, Bianchi, Marco, Bonifetto, Roberto, Carli, Stefano, Devred, Arnaud, Martovetsky, Nicolai, Ribani, Pier Luigi, Savoldi, Laura, Takaaki, Isono, Zanino, Roberto

Journal:

IEEE Transactions on Appiled Superconductivity

Year:

2017

Language:

english

File:

PDF, 469 KB

english, 2017

50

Extensive Mandibular Ameloblastic Fibro-Odontoma

Ribeiro, Cínthia Magalhães, Santos, Tatiana Tavares Marcelino dos, de Castro, Sérgio Roberto, de Carli, Marina Lara, Sperandio, Felipe Fornias, Hanemann, João Adolfo Costa, Pereira, Alessandro Antônio

Journal:

Journal of Craniofacial Surgery

Year:

2016

Language:

english

File:

PDF, 177 KB

english, 2016