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PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures

Physica Status Solidi (b), 2006-04, Vol.243 (5), p.1063-1079

2006

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Evolution of magnetism in iron from the atom to the bulk

Physical review letters, 2006-10, Vol.97 (14), p.147201-147201, Article 147201

2006

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Real space pseudopotential calculations for copper clusters

The Journal of chemical physics, 2006-07, Vol.125 (3), p.034311-034311-7

2006

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Engineering the magnetic structure of Fe clusters by Mn alloying

Nanotechnology, 2008-06, Vol.19 (24), p.245701-245701 (5)

2008

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Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

Journal of physics. Condensed matter, 2013-02, Vol.25 (8), p.085506-6

2013

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Ab initio study of intrinsic profiles of liquid metals and their reflectivity

EPJ Web of Conferences, 2017, Vol.151, p.5002

2017

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Computational studies of doped nanostructures

Reports on progress in physics, 2011-04, Vol.74 (4), p.046501

2011

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Static structure, microscopic dynamics and electronic properties of the liquid Bi–Pb alloy. An ab initio molecular dynamics study

Journal of nuclear materials, 2011-04, Vol.411 (1), p.163-170

2011

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Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

Journal of molecular liquids, 2021-12, Vol.344, p.117775, Article 117775

2021

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A density-functional study of the possibility of noncollinear magnetism in small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

The Journal of chemical physics, 2008-03, Vol.128 (11), p.114315-114315

2008

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Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study

Modelling and simulation in materials science and engineering, 2013-10, Vol.21 (7), p.75006-16

2013

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Kohn-Sham ab initio molecular dynamics study of liquid Al near melting

Physical review. B, Condensed matter and materials physics, 2004-10, Vol.70 (13), p.134206.1-134206.6, Article 134206

2004

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Ab initio calculations for p-type doped bulk indium phosphide

Solid state communications, 2008-05, Vol.146 (5), p.245-248

2008

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The Role of Quantum Confinement in p-Type Doped Indium Phosphide Nanowires

Nano letters, 2007-07, Vol.7 (7), p.1878-1882

2007

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Ab initio calculations for the photoelectron spectra of vanadium clusters

The Journal of chemical physics, 2004-09, Vol.121 (12), p.5893-5898

2004

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Ab initio calculations of the photoelectron spectra of transition metal clusters

Physical review. B, Condensed matter and materials physics, 2005-04, Vol.71 (16), p.165433.1-165433.5, Article 165433

2005

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Viscosities of liquid CdTe near melting point from ab initio molecular-dynamics calculations

The Journal of chemical physics, 2004-07, Vol.121 (2), p.942-945

2004

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Self-consistent density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-Al clusters

Physical review. B, Condensed matter, 1999-07, Vol.60 (3), p.2020-2024

1999

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First-principles molecular dynamics of liquid rubidium at low density

Journal of non-crystalline solids, 2004-11, Vol.347 (1-3), p.100-105

2004

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Comment on “Ground-state geometry of small Ni-C clusters”

Physical review. B, Condensed matter, 2003-10, Vol.68 (16), Article 167401

2003

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Doping efficiency in n -type InP nanowires

Physical review. B, Condensed matter and materials physics, 2013-09, Vol.88 (11), Article 115310

2013

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Efficient first-principles calculations of the electronic structure of periodic systems

Computer physics communications, 2007-08, Vol.177 (4), p.339-347

2007

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Electronic structure of Si ( 001 ) − c ( 4 × 2 ) analyzed by scanning tunneling spectroscopy and ab initio simulations

Physical review. B, Condensed matter and materials physics, 2006-01, Vol.73 (3), Article 035330

2006

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A density-functional study of the possibility of noncollinear magnetismin small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

The Journal of chemical physics, 2008-03, Vol.128 (11), p.114315-114315-5

2008

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Transport coefficients of liquid transition metals: A computer simulation study using the embedded atom model

The Journal of chemical physics, 1998-10, Vol.109 (13), p.5175-5176

1998

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PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures

Evolution of magnetism in iron from the atom to the bulk

Real space pseudopotential calculations for copper clusters

Engineering the magnetic structure of Fe clusters by Mn alloying

Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

Ab initio study of intrinsic profiles of liquid metals and their reflectivity

Computational studies of doped nanostructures

Static structure, microscopic dynamics and electronic properties of the liquid Bi–Pb alloy. An ab initio molecular dynamics study

Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

A density-functional study of the possibility of noncollinear magnetism in small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study

Kohn-Sham ab initio molecular dynamics study of liquid Al near melting

Ab initio calculations for p-type doped bulk indium phosphide

The Role of Quantum Confinement in p-Type Doped Indium Phosphide Nanowires

Ab initio calculations for the photoelectron spectra of vanadium clusters

Ab initio calculations of the photoelectron spectra of transition metal clusters

Viscosities of liquid CdTe near melting point from ab initio molecular-dynamics calculations

Self-consistent density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-Al clusters

First-principles molecular dynamics of liquid rubidium at low density

Comment on “Ground-state geometry of small Ni-C clusters”

Doping efficiency in n -type InP nanowires

Efficient first-principles calculations of the electronic structure of periodic systems

Electronic structure of Si ( 001 ) − c ( 4 × 2 ) analyzed by scanning tunneling spectroscopy and ab initio simulations

A density-functional study of the possibility of noncollinear magnetismin small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

Transport coefficients of liquid transition metals: A computer simulation study using the embedded atom model

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