Lista de obras - Cai-Zhuang Wang - Dominio Público Uruguay

'Crystal Genes' in Metallic Liquids and Glasses

artículo científico publicado en 2016

A coefficient average approximation towards Gutzwiller wavefunction formalism ⬇️

artículo científico publicado en 2015

A computational study of diffusion in a glass-forming metallic liquid

artículo científico publicado en 2015

Ab initio molecular dynamics simulation of liquid Al88Si12 alloys

artículo científico publicado en 2005

Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K.

artículo científico publicado en 2016

An adaptive genetic algorithm for crystal structure prediction

artículo científico publicado en 2013

Appearance of bulk-like motifs in Si, Ge, and Al clusters

artículo científico publicado en 2010

Appearance of the bulk motif in Al clusters

artículo científico publicado en 2008

Atomic structure evolution during solidification of liquid niobium from ab initio molecular dynamics simulations.

artículo científico publicado en 2013

Broadband optical absorption by tunable Mie resonances in silicon nanocone arrays

artículo científico publicado en 2015

Bulklike structures for medium-sized Al(n) (n=31-40) clusters

artículo científico publicado en 2009

Characterization of three phases of liquid carbon by tight-binding molecular dynamics simulations

scientific article published on 22 June 2020

Codability criterion for picking proteinlike structures from random three-dimensional configurations.

artículo científico publicado en 2006

Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction

artículo científico publicado en 2010

Comparison of the growth patterns of Si(n) and Ge(n) clusters (n = 25-33).

artículo científico publicado en 2008

Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules

artículo científico publicado en 2016

Correlation matrix renormalization theory in multi-band lattice systems

artículo científico publicado en 2020

Crystal genes in a marginal glass-forming system of Ni50Zr50.

artículo científico publicado en 2017

Determining whether metals nucleate homogeneously on graphite: A case study with copper

scholarly article in Physical Review B, vol. 90 no. 19, November 2014

Development of interatomic potential for Al-Tb alloys using a deep neural network learning method

artículo científico publicado en 2020

Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers

artículo científico publicado en 2005

Dynamics and Diffusion Mechanism of Low-Density Liquid Silicon

artículo científico publicado en 2015

Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure

artículo científico publicado en 2006

Effect of chain connectivity on the structure of Lennard-Jones liquid and its implicationon statistical potentials for protein folding.

artículo científico publicado en 2004

Effect of oxygen on the stability of Ag islands on Si(111)-7×7

Effects of Oxygen Impurities on Glass-Formation Ability in Zr2Cu Alloy

artículo científico publicado en 2016

Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory

artículo científico publicado en 2015

Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO-NEGF approach

artículo científico publicado en 2013

Evolution of short- and medium-range order in the melt-quenching amorphization of Ge2Sb2Te5

article published in 2018

Experimental and molecular dynamics simulation study of structure of liquid and amorphous Ni62Nb38 alloy

artículo científico publicado en 2016

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

artículo científico publicado en 2015

Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm

artículo científico publicado en 2014

Fast method for estimating the energy distribution of globular states of proteins

artículo científico publicado en 2005

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material

artículo científico publicado en 2017

Fe-Fe adatom interaction and growth morphology on graphene

scholarly article in Physical Review B, vol. 84 no. 23, December 2011

Fe-Si networks in Na2FeSiO4 cathode materials

artículo científico publicado en 2016

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe_{3} under Pressure. ⬇️

artículo científico publicado en 2016

Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights

Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

artículo científico publicado en 2018

Geometric structures of Ge(n) (n=34-39) clusters

artículo científico publicado en 2010

Growth and characterization of BaZnGa

Growth morphology and properties of metals on graphene

Growth morphology and thermal stability of metal islands on graphene

scholarly article in Physical Review B, vol. 86 no. 8, August 2012

Heat-induced transformation of nanodiamond into a tube-shaped fullerene: a molecular dynamics simulation

artículo científico publicado en 2003

High island densities and long range repulsive interactions: Fe on epitaxial graphene

artículo científico publicado en 2012

High photon-to-heat conversion efficiency in the wavelength region of 250-1200 nm based on a thermoelectric Bi2Te3 film structure

artículo científico publicado en 2017

High-pressure structures of yttrium hydrides

artículo científico publicado en 2017

Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method potential

artículo científico publicado en 2006

Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films.

artículo científico publicado en 2017

Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale

artículo científico publicado en 2016

Islands and holes as measures of mass balance in growth of the(3×3)R30°phase of Ag on Si(111)

scholarly article in Physical Review B, vol. 82 no. 24, December 2010

Local structure order in Pd78Cu6Si16 liquid

artículo científico publicado en 2015

Magic structures of h-passivated 110 silicon nanowires

artículo científico publicado en 2006

Manipulation of Dirac cones in intercalated epitaxial graphene

scholarly article in Carbon, vol. 123, October 2017

Metal intercalation-induced selective adatom mass transport on graphene

article published in 2016

Metastable cobalt nitride structures with high magnetic anisotropy for rare-earth free magnets

artículo científico publicado en 2016

Nano-Cr-film-based solar selective absorber with high photo-thermal conversion efficiency and good thermal stability

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se

artículo científico publicado en 2013

New stable Re-B phases for ultra-hard materials

artículo científico publicado en 2014

Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions

artículo científico publicado en 2017

Nucleation and growth of Ag islands on the (\surd 3\times \surd 3)\mathrm {R}30^{\circ } phase of Ag on Si(111)

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

artículo científico publicado en 2014

Origin of pressure-induced crystallization of Ce75Al25 metallic glass

artículo científico publicado en 2015

Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

scientific article published on 25 April 2020

Oscillatory electrostatic potential on graphene induced by group IV element decoration

artículo científico publicado en 2017

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach.

artículo científico publicado en 2018

Platelike structures of semiconductor clusters Ge(n) (n = 40-44).

artículo científico publicado en 2009

Predicting binding sites of hydrolase-inhibitor complexes by combining several methods

artículo científico publicado en 2004

Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode

Selenium Edge as a Selective Anchoring Site for Lithium-Sulfur Batteries with MoSe2/Graphene-Based Cathodes

scientific article published on 24 May 2019

Si78 double cage structure and special optical properties

artículo científico publicado en 2015

Solute-solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: a molecular dynamics study

artículo científico publicado en 2015

Spatially Resolved Distribution Function and the Medium-Range Order in Metallic Liquid and Glass ⬇️

artículo científico publicado el 23 de diciembre de 2011

Stabilities and fragmentation energies of Si(n) clusters (n = 2-33).

artículo científico publicado en 2009

Stabilizing the crystal structures of NaFePO4 with Li substitutions

artículo científico publicado en 2020

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface.

artículo científico publicado en 2013

Structural model of the Rev regulatory protein from equine infectious anemia virus

artículo científico publicado en 2009

Structure of the clean Gd5Ge4(010) surface

artículo científico publicado en 2013

Structures and magnetic properties of Fe clusters on graphene

scholarly article in Physical Review B, vol. 90 no. 15, October 2014

Structures and stabilities of Pb(n) (n <or= 20) clusters

artículo científico publicado en 2009

Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm

scholarly article in RSC Advances, vol. 3 no. 44, 2013

Structures of Pb(n) (n = 21-30) clusters from first-principles calculations

artículo científico publicado en 2010

Structures of defects on anatase TiO2(001) surfaces

artículo científico publicado en 2017

Structures of medium-sized silicon clusters

artículo científico publicado en 1998

Tailored Plasmons in Pentacene/Graphene Heterostructures with Interlayer Electron Transfer

scientific article published on 14 August 2019

Theoretical Prediction of Si2-Si33 Absorption Spectra

artículo científico publicado en 2017

Theoretical study on the structures and optical absorption of Si₁₇₂ nanoclusters

artículo científico publicado en 2015

Transition metals on the (0 0 0 1) surface of graphite: Fundamental aspects of adsorption, diffusion, and morphology

Zero-Strain Na2FeSiO4 as Novel Cathode Material for Sodium-Ion Batteries.

artículo científico publicado en 2016

Lista de obras de Cai-Zhuang Wang

'Crystal Genes' in Metallic Liquids and Glasses

A coefficient average approximation towards Gutzwiller wavefunction formalism ⬇️

A computational study of diffusion in a glass-forming metallic liquid

Ab initio molecular dynamics simulation of liquid Al88Si12 alloys

Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K.

An adaptive genetic algorithm for crystal structure prediction

Appearance of bulk-like motifs in Si, Ge, and Al clusters

Appearance of the bulk motif in Al clusters

Atomic structure evolution during solidification of liquid niobium from ab initio molecular dynamics simulations.

Broadband optical absorption by tunable Mie resonances in silicon nanocone arrays

Bulklike structures for medium-sized Al(n) (n=31-40) clusters

Characterization of three phases of liquid carbon by tight-binding molecular dynamics simulations

Codability criterion for picking proteinlike structures from random three-dimensional configurations.

Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction

Comparison of the growth patterns of Si(n) and Ge(n) clusters (n = 25-33).

Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules

Correlation matrix renormalization theory in multi-band lattice systems

Crystal genes in a marginal glass-forming system of Ni50Zr50.

Determining whether metals nucleate homogeneously on graphite: A case study with copper

Development of interatomic potential for Al-Tb alloys using a deep neural network learning method

Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers

Dynamics and Diffusion Mechanism of Low-Density Liquid Silicon

Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure

Effect of chain connectivity on the structure of Lennard-Jones liquid and its implicationon statistical potentials for protein folding.

Effect of oxygen on the stability of Ag islands on Si(111)-7×7

Effects of Oxygen Impurities on Glass-Formation Ability in Zr2Cu Alloy

Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory

Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO-NEGF approach

Evolution of short- and medium-range order in the melt-quenching amorphization of Ge2Sb2Te5

Experimental and molecular dynamics simulation study of structure of liquid and amorphous Ni62Nb38 alloy

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm

Fast method for estimating the energy distribution of globular states of proteins

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material

Fe-Fe adatom interaction and growth morphology on graphene

Fe-Si networks in Na2FeSiO4 cathode materials

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe_{3} under Pressure. ⬇️

Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights

Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

Geometric structures of Ge(n) (n=34-39) clusters

Growth and characterization of BaZnGa

Growth morphology and properties of metals on graphene

Growth morphology and thermal stability of metal islands on graphene

Heat-induced transformation of nanodiamond into a tube-shaped fullerene: a molecular dynamics simulation

High island densities and long range repulsive interactions: Fe on epitaxial graphene

High photon-to-heat conversion efficiency in the wavelength region of 250-1200 nm based on a thermoelectric Bi2Te3 film structure

High-pressure structures of yttrium hydrides

Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method potential

Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films.

Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale

Islands and holes as measures of mass balance in growth of the(3×3)R30°phase of Ag on Si(111)

Local structure order in Pd78Cu6Si16 liquid

Magic structures of h-passivated 110 silicon nanowires

Manipulation of Dirac cones in intercalated epitaxial graphene

Metal intercalation-induced selective adatom mass transport on graphene

Metastable cobalt nitride structures with high magnetic anisotropy for rare-earth free magnets

Nano-Cr-film-based solar selective absorber with high photo-thermal conversion efficiency and good thermal stability

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se

New stable Re-B phases for ultra-hard materials

Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions

Nucleation and growth of Ag islands on the (\surd 3\times \surd 3)\mathrm {R}30^{\circ } phase of Ag on Si(111)

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Origin of pressure-induced crystallization of Ce75Al25 metallic glass

Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Oscillatory electrostatic potential on graphene induced by group IV element decoration

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach.

Platelike structures of semiconductor clusters Ge(n) (n = 40-44).

Predicting binding sites of hydrolase-inhibitor complexes by combining several methods

Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode

Selenium Edge as a Selective Anchoring Site for Lithium-Sulfur Batteries with MoSe2/Graphene-Based Cathodes

Si78 double cage structure and special optical properties

Solute-solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: a molecular dynamics study

Spatially Resolved Distribution Function and the Medium-Range Order in Metallic Liquid and Glass ⬇️

Stabilities and fragmentation energies of Si(n) clusters (n = 2-33).

Stabilizing the crystal structures of NaFePO4 with Li substitutions

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface.

Structural model of the Rev regulatory protein from equine infectious anemia virus

Structure of the clean Gd5Ge4(010) surface

Structures and magnetic properties of Fe clusters on graphene