Lista de obras - Eva G Noya - Dominio Público Uruguay

A density-functional study of the structures, binding energies and total spins of Ni–Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

artículo científico publicado en 2005

A quantum propagator for path-integral simulations of rigid molecules ⬇️

artículo científico publicado el 7 de febrero de 2011

A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models

artículo científico publicado en 2012

Adsorption of water, methanol, and their mixtures in slit graphite pores

scientific article published on 01 January 2019

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity

artículo científico publicado en 2015

Assembly of clathrates from tetrahedral patchy colloids with narrow patches

artículo científico publicado en 2019

Assembly of trivalent particles under confinement: from an exotic solid phase to a liquid phase at low temperature

artículo científico publicado en 2017

Can gas hydrate structures be described using classical simulations?

scientific article published on 01 March 2010

Competing ordered structures formed by particles with a regular tetrahedral patch decoration

artículo científico publicado en 2012

Complete phase behavior of the symmetrical colloidal electrolyte

scientific article published on 01 December 2007

Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

artículo científico publicado en 2008

Confinement of Colloids with Competing Interactions in Ordered Porous Materials

artículo científico publicado en 2020

Determination of the melting point of hard spheres from direct coexistence simulation methods

artículo científico publicado en 2008

Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods

artículo científico publicado en 2019

Free energy calculations for molecular solids using GROMACS.

artículo científico publicado en 2013

Geometric structure and electronic properties of neutral and anionic Fe2C3 and Fe2C4 clusters, as obtained by density-functional calculations

artículo científico publicado en 2004

Heat capacity of water: A signature of nuclear quantum effects

artículo científico publicado en 2010

Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

artículo científico publicado en 2012

Micelle-directed chiral seeded growth on anisotropic gold nanocrystals

scientific article published on 01 June 2020

Noncollinear magnetic order in the six-atom Mn cluster

artículo científico publicado en 2005

Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility

artículo científico publicado en 2010

Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: appearance of A15 Frank-Kasper phase at intermediate elongations

artículo científico publicado en 2019

Nucleotide-Dependent Lateral and Longitudinal Interactions in Microtubules

artículo científico publicado en 2013

Phase behaviour of inverse patchy colloids: effect of the model parameters

artículo científico publicado en 2015

Phase diagram of inverse patchy colloids assembling into an equilibrium laminar phase

scientific article published on 01 November 2014

Phase diagram of model anisotropic particles with octahedral symmetry

artículo científico publicado en 2007

Programming patchy particles to form complex periodic structures

scientific article published on 01 December 2019

Properties of ices at 0 K: A test of water models

artículo científico publicado en 2007

Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005

artículo científico publicado en 2009

Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

scientific article published on 01 September 2009

Reverse Monte Carlo modeling in confined systems

artículo científico publicado en 2014

Reversible self-assembly of patchy particles into monodisperse icosahedral clusters

artículo científico publicado en 2007

Revisiting the Frenkel-Ladd method to compute the free energy of solids: the Einstein molecule approach

artículo científico publicado en 2007

Self-Assembly of Optimally Packed Cylindrical Clusters inside Spherical Shells

artículo científico publicado en 2022

Structural transitions in the 309-atom magic number Lennard-Jones cluster

artículo científico publicado en 2006

Structure and water attachment rates of ice in the atmosphere: role of nitrogen

scientific article published on 29 August 2019

Surface phase transitions and crystal habits of ice in the atmosphere

artículo científico publicado en 2020

The Young-Laplace equation for a solid-liquid interface

artículo científico publicado en 2020

The influence of confinement on the structure of colloidal systems with competing interactions

artículo científico publicado en 2020

The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase

artículo científico publicado en 2008

The phase diagram of water from quantum simulations

artículo científico publicado en 2012

The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.

artículo científico publicado en 2010

Three-dimensional patchy lattice model for empty fluids

artículo científico publicado en 2012

Lista de obras de Eva G Noya

A density-functional study of the structures, binding energies and total spins of Ni–Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

A quantum propagator for path-integral simulations of rigid molecules ⬇️

A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models

Adsorption of water, methanol, and their mixtures in slit graphite pores

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity

Assembly of clathrates from tetrahedral patchy colloids with narrow patches

Assembly of trivalent particles under confinement: from an exotic solid phase to a liquid phase at low temperature

Can gas hydrate structures be described using classical simulations?

Competing ordered structures formed by particles with a regular tetrahedral patch decoration

Complete phase behavior of the symmetrical colloidal electrolyte

Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

Confinement of Colloids with Competing Interactions in Ordered Porous Materials

Determination of the melting point of hard spheres from direct coexistence simulation methods

Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods

Free energy calculations for molecular solids using GROMACS.

Geometric structure and electronic properties of neutral and anionic Fe2C3 and Fe2C4 clusters, as obtained by density-functional calculations

Heat capacity of water: A signature of nuclear quantum effects

Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

Micelle-directed chiral seeded growth on anisotropic gold nanocrystals

Noncollinear magnetic order in the six-atom Mn cluster

Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility

Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: appearance of A15 Frank-Kasper phase at intermediate elongations

Nucleotide-Dependent Lateral and Longitudinal Interactions in Microtubules

Phase behaviour of inverse patchy colloids: effect of the model parameters

Phase diagram of inverse patchy colloids assembling into an equilibrium laminar phase

Phase diagram of model anisotropic particles with octahedral symmetry

Programming patchy particles to form complex periodic structures

Properties of ices at 0 K: A test of water models

Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005

Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

Reverse Monte Carlo modeling in confined systems

Reversible self-assembly of patchy particles into monodisperse icosahedral clusters

Revisiting the Frenkel-Ladd method to compute the free energy of solids: the Einstein molecule approach

Self-Assembly of Optimally Packed Cylindrical Clusters inside Spherical Shells

Structural transitions in the 309-atom magic number Lennard-Jones cluster

Structure and water attachment rates of ice in the atmosphere: role of nitrogen

Surface phase transitions and crystal habits of ice in the atmosphere

The Young-Laplace equation for a solid-liquid interface

The influence of confinement on the structure of colloidal systems with competing interactions

The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase

The phase diagram of water from quantum simulations

The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.

Three-dimensional patchy lattice model for empty fluids