Projects
Reading
People
Chat
SU\G
(𝔸)
/K·U
Projects
Reading
People
Chat
Sign Up
Light
Dark
System
Nicholas E. Singh-Miller
Follow
Share
Generating author description...
All published works
Action
Title
Year
Authors
+
PDF
Chat
Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles
2009
Nicholas E. Singh-Miller
Nicola Marzari
+
PDF
Chat
Electrostatics in periodic boundary conditions and real-space corrections
2008
Ismaïla Dabo
Boris Kozinsky
Nicholas E. Singh-Miller
Nicola Marzari
+
First-principles study of the surface energies, work functions, and surfa ce relaxations of low index metallic surfaces
2008
Nicholas E. Singh-Miller
Nicola Marzari
+
PDF
Chat
Effect of Counterions on the Interactions of Charged Oligothiophenes
2006
Nicholas E. Singh-Miller
Damián A. Scherlis
Nicola Marzari
+
The Effect of Counterions on the Interactions of Charged Oligothiophenes
2006
Nicholas E. Singh-Miller
Damián A. Scherlis
Nicola Marzari
+
The Effect of Counterions on the Interactions of Charged Oligothiophenes
2006
Nicholas E. Singh-Miller
Damián A. Scherlis
Nicola Marzari
Common Coauthors
Coauthor
Papers Together
Nicola Marzari
6
Damián A. Scherlis
3
Boris Kozinsky
1
Ismaïla Dabo
1
Commonly Cited References
Action
Title
Year
Authors
# of times referenced
+
A multigrid tutorial
1987
William L. Briggs
1
+
Electrostatic interactions in two-dimensional Coulomb systems with periodic boundary conditions
1989
B. Cichocki
B. U. Felderhof
1
+
PDF
Chat
Supercell technique for total-energy calculations of finite charged and polar systems
1997
M. R. Jarvis
I. D. White
R. W. Godby
M. C. Payne
1
+
PDF
Chat
First-Principles Approach to Insulators in Finite Electric Fields
2002
Ivo Souza
Jorge Íñiguez
David Vanderbilt
1
+
PDF
Chat
<i>Ab initio</i>study of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">PbTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>surfaces in …
2001
Bernd Meyer
David Vanderbilt
1
+
Structure and Stability of the (100) Surface of Gold
1966
D. G. Fedak
N.A. Gjostein
1
+
PDF
Chat
Stacking of oligo- and polythiophene cations in solution: Surface tension and dielectric saturation
2006
Damián A. Scherlis
Jean‐Luc Fattebert
Nicola Marzari
1
+
PDF
Chat
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
2008
John P. Perdew
Adrienn Ruzsinszky
Gábor I. Csonka
Oleg A. Vydrov
Gustavo E. Scuseria
Lucian A. Constantin
Xiaolan Zhou
Kieron Burke
1
+
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
2006
Damián A. Scherlis
Jean‐Luc Fattebert
François Gygi
Matteo Cococcioni
Nicola Marzari
1
+
PDF
Chat
Truncation of periodic image interactions for confined systems
2006
Sohrab Ismail‐Beigi
1
+
PDF
Chat
Exact Coulomb cutoff technique for supercell calculations
2006
Carlo Andrea Rozzi
Daniele Varsano
Andrea Marini
E. K. U. Gross
Ángel Rubio
1
+
PDF
Chat
Static Dielectric Properties of Carbon Nanotubes from First Principles
2006
Boris Kozinsky
Nicola Marzari
1
+
PDF
Chat
The Compressibility of Media under Extreme Pressures
1944
F. D. Murnaghan
1
+
PDF
Chat
Assessing the performance of recent density functionals for bulk solids
2009
Gábor I. Csonka
John P. Perdew
Adrienn Ruzsinszky
Pier Philipsen
Sébastien Lebègue∥
Joachim Paier
Oleg A. Vydrov
János G. Ángyán
1
+
PDF
Chat
Self-Interaction Errors in Density-Functional Calculations of Electronic Transport
2005
Cormac Toher
Alessio Filippetti
Stefano Sanvito
Kieron Burke
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
Ismaïla Dabo
1
+
PDF
Chat
Numerical solution of the nonlinear Poisson–Boltzmann equation: Developing more robust and efficient methods
1995
Michael Holst
Faisal Saied
1
+
PDF
Chat
Thermal Contraction and Disordering of the Al(110) Surface
1999
Nicola Marzari
David Vanderbilt
Alessandro De Vita
M. C. Payne
1
+
PDF
Chat
Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
2008
M. Ropo
K. Kokko
Levente Vitos
1
+
PDF
Chat
Extracting convergent surface energies from slab calculations
1996
Vincenzo Fiorentini
M. Methfessel
1
+
PDF
Chat
The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies
2008
Alessandro Stroppa
Georg Kresse
1
+
PDF
Chat
An Algorithm for the Machine Calculation of Complex Fourier Series
1965
J.W. Cooley
John W. Tukey
1