Gabriele Penazzi

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Commonly Cited References
Action Title Year Authors # of times referenced
+ PDF Chat Compositional bowing of band energies and their deformation potentials in strained InGaAs ternary alloys: A first-principles study 2015 Petr A. Khomyakov
Mathieu Luisier
Andreas Schenk
1
+ Optimization algorithm for the generation of ONCV pseudopotentials 2015 Martin Schlipf
François Gygi
1
+ Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices 1986 Ronald B. Morgan
David Scott
1
+ PDF Chat Generalized phonon-assisted Zener tunneling in indirect semiconductors with non-uniform electric fields: A rigorous approach 2011 William G. Vandenberghe
Bart SorĂŠe
Wim Magnus
Massimo V. Fischetti
1
+ PDF Chat Projector augmented-wave method 1994 Peter E. BlĂśchl
1
+ PDF Chat Libxc: A library of exchange and correlation functionals for density functional theory 2012 Miguel A. L. Marques
Micael J. T. Oliveira
T. Burnus
1
+ PDF Chat Improved initial guess for minimum energy path calculations 2014 Søren Smidstrup
Andreas Pedersen
Kurt Stokbro
Hannes JĂłnsson
1
+ PDF Chat Graphene photodetectors for high-speed optical communications 2010 Thomas Mueller
Fengnian Xia
Phaedon Avouris
1
+ PDF Chat Density-functional method for nonequilibrium electron transport 2002 Mads Brandbyge
JosĂŠ-LuĂ­s Mozos
Pablo OrdejĂłn
Jeremy Taylor
Kurt Stokbro
1
+ PDF Chat Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation 2014 Jing‐Tao Lü
Rasmus B. Christensen
Giuseppe Foti
Thomas Frederiksen
Tue Gunst
Mads Brandbyge
1
+ PDF Chat Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles 2009 Nicholas E. Singh-Miller
Nicola Marzari
1
+ PDF Chat Approximation to density functional theory for the calculation of band gaps of semiconductors 2008 Luiz G. Ferreira
Marcelo Marques
L. K. Teles
1
+ Molecular dynamics saddle search adaptive kinetic Monte Carlo 2014 Samuel T. Chill
Graeme Henkelman
1
+ PDF Chat Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces 2008 John P. Perdew
Adrienn Ruzsinszky
GĂĄbor I. Csonka
Oleg A. Vydrov
Gustavo E. Scuseria
Lucian A. Constantin
Xiaolan Zhou
Kieron Burke
1
+ PDF Chat Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells 2015 Stefan Schulz
A. Miguel
Conor Coughlan
Eoin P. O’Reilly
1
+ PDF Chat Current-induced forces: a simple derivation 2014 Tchavdar N. Todorov
Daniel Dundas
Jing‐Tao Lü
Mads Brandbyge
Per HedegĂĽrd
1
+ PDF Chat Efficient implementation of the nonequilibrium Green function method for electronic transport calculations 2010 Taisuke Ozaki
Kengo Nishio
Hiori Kino
1
+ PDF Chat Finite-bias electronic transport of molecules in a water solution 2010 Ivan Rungger
X. Chen
Udo SchwingenschlĂśgl
Stefano Sanvito
1
+ PDF Chat Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method 2005 Matteo Cococcioni
Stefano de Gironcoli
1
+ PDF Chat Surface-Decorated Silicon Nanowires: A Route to High-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Z</mml:mi><mml:mi>T</mml:mi></mml:math>Thermoelectrics 2009 Troels Markussen
Antti–Pekka Jauho
Mads Brandbyge
1
+ PDF Chat On the limited memory BFGS method for large scale optimization 1989 Cheng‐Di Dong
Jorge Nocedal
1
+ PDF Chat Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach 2012 Jing‐Tao Lü
Mads Brandbyge
Per HedegĂĽrd
Tchavdar N. Todorov
Daniel Dundas
1
+ PDF Chat Theory of local electric polarization and its relation to internal strain: Impact on polarization potential and electronic properties of group-III nitrides 2013 A. Miguel
Stefan Schulz
Eoin P. O’Reilly
1
+ PDF Chat Efficient wave-function matching approach for quantum transport calculations 2009 Hans Henrik Brandenborg Sørensen
Per Christian Hansen
Dan Petersen
Stig Skelboe
Kurt Stokbro
1
+ PDF Chat BoltzTraP. A code for calculating band-structure dependent quantities 2006 Georg K. H. Madsen
David J. Singh
1
+ Adaptive kinetic Monte Carlo for first-principles accelerated dynamics 2008 Lijun Xu
Graeme Henkelman
1
+ PDF Chat Consequences of local gauge symmetry in empirical tight-binding theory 2002 Bradley A. Foreman
1
+ PDF Chat Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit 2009 Axel van de Walle
1
+ PDF Chat Semiempirical model for nanoscale device simulations 2010 Kurt Stokbro
Dan Petersen
Søren Smidstrup
Anders Blom
Mads Ipsen
Kristen Kaasbjerg
1
+ PDF Chat QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials 2009 Paolo Giannozzi
Stefano Baroni
Nicola Bonini
Matteo Calandra
Roberto Car
Carlo Cavazzoni
Davide Ceresoli
G. Chiarotti
Matteo Cococcioni
IsmaĂŻla Dabo
1
+ PDF Chat Spontaneous polarization and piezoelectric constants of III-V nitrides 1997 Fabio Bernardini
Vincenzo Fiorentini
David Vanderbilt
1
+ PDF Chat First-principles analysis of photocurrent in graphene<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>P</mml:mi><mml:mi>N</mml:mi></mml:mrow></mml:math>junctions 2012 Jingzhe Chen
Yibin Hu
Hong Guo
1
+ PDF Chat The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation 2002 JosĂŠ M. Soler
Emilio Artacho
Julian D. Gale
Alberto GarcĹ́a
Javier Junquera
Pablo OrdejĂłn
Daniel Sánchez‐Portal
1
+ PDF Chat PLUMED 2: New feathers for an old bird 2013 Gareth A. Tribello
Massimiliano Bonomi
Davide Branduardi
Carlo Camilloni
Giovanni Bussi
1
+ PDF Chat General Green’s-function formalism for transport calculations with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>spd</mml:mi></mml:math>Hamiltonians and giant magnetoresistance in Co- and Ni-based magnetic multilayers 1999 Stefano Sanvito
Colin J. Lambert
J. H. Jefferson
A. M. Bratkovsky
1
+ PDF Chat Pseudopotentials for high-throughput DFT calculations 2013 Kevin F. Garrity
Joseph W. Bennett
Karin M. Rabe
David Vanderbilt
1
+ PDF Chat First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials 2016 Tue Gunst
Troels Markussen
Kurt Stokbro
Mads Brandbyge
1
+ PDF Chat Adaptively Compressed Exchange Operator 2016 Lin Lin
1
+ PDF Chat General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function 2016 Daniele Stradi
Umberto Martinez
Anders Blom
Mads Brandbyge
Kurt Stokbro
1
+ Band offsets, wells, and barriers at nanoscale semiconductor heterojunctions 2011 Yann-Michel Niquet
Christophe Delerue
1
+ PDF Chat Flexural-Phonon Scattering Induced by Electrostatic Gating in Graphene 2017 Tue Gunst
Kristen Kaasbjerg
Mads Brandbyge
1
+ PDF Chat Interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells 2017 Andrea Crovetto
Mattias Palsgaard
Tue Gunst
Troels Markussen
Kurt Stokbro
Mads Brandbyge
Ole Hansen
1
+ PDF Chat Field Effect in Graphene-Based van der Waals Heterostructures: Stacking Sequence Matters 2017 Daniele Stradi
Nick Papior
Ole Hansen
Mads Brandbyge
1
+ PDF Chat Method for determining optimal supercell representation of interfaces 2017 Daniele Stradi
Line Jelver
Søren Smidstrup
Kurt Stokbro
1
+ PDF Chat Electron-phonon scattering from Green's function transport combined with molecular dynamics: Applications to mobility predictions 2017 Troels Markussen
Mattias Palsgaard
Daniele Stradi
Tue Gunst
Mads Brandbyge
Kurt Stokbro
1
+ PDF Chat First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach 2017 Søren Smidstrup
Daniele Stradi
Jess Wellendorff
Petr A. Khomyakov
Ulrik Grønbjerg Vej-Hansen
Maeng-Eun Lee
Tushar K. Ghosh
Elvar Örn Jónsson
Hannes JĂłnsson
Kurt Stokbro
1
+ PDF Chat First-principles electron transport with phonon coupling: Large scale at low cost 2017 Tue Gunst
Troels Markussen
Mattias Palsgaard
Kurt Stokbro
Mads Brandbyge
1
+ PDF Chat Giant interfacial perpendicular magnetic anisotropy in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mrow><mml:mi>Fe</mml:mi><mml:mo>/</mml:mo><mml:mi>CuIn</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Ga</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>Se</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> beyond Fe/MgO 2017 Keisuke Masuda
S. Kasai
Yoshio Miura
K. Hono
1
+ PDF Chat The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table 2018 Michiel J. van Setten
Matteo Giantomassi
Éric Bousquet
Matthieu J. Verstraete
D. R. Hamann
Xavier Gonze
Gian‐Marco Rignanese
1
+ First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers 2018 Branislav K. Nikolić
Kapildeb Dolui
Marko D. Petrović
Petr Plecháč
Troels Markussen
Kurt Stokbro
1