Lista de obras - Charusita Chakravarty - Dominio Público Uruguay

An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to Li4 and Li5+

Applications to Soft Matter: general discussion

Comparison of Tetrahedral Order, Liquid State Anomalies, and Hydration Behavior of mTIP3P and TIP4P Water Models

scientific article published on 16 September 2011

Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models

artículo científico publicado en 2016

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

artículo científico publicado en 2016

Core-softened fluids, water-like anomalies, and the liquid-liquid critical points

artículo científico publicado en 2011

Determining landscape-based criteria for freezing of liquids

scientific article published on 01 June 2007

Diffusional anomaly and network dynamics in liquid silica

scientific article published on 01 July 2006

Diffusivity, excess entropy, and the potential-energy landscape of monatomic liquids

scientific article published on 01 January 2006

Effect of ionic solutes on the hydrogen bond network dynamics of water: power spectral analysis of aqueous NaCl solutions

scientific article published on 01 April 2006

Effective interactions between nanoparticles: Creating temperature-independent solvation environments for self-assembly

artículo científico publicado en 2016

Energy Landscapes of Quantum Lennard-Jones Solids ⬇️

artículo científico publicado el 30 de junio de 2011

Entropy, diffusivity and the energy landscape of a waterlike fluid

artículo científico publicado en 2010

Entropy, diffusivity, and structural order in liquids with waterlike anomalies

artículo científico publicado en 2006

Entropy, local order, and the freezing transition in Morse liquids

artículo científico publicado en 2007

Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids

scientific article published on 01 October 2015

Excess entropy and structural transitions in a two-dimensional square-shoulder fluid

artículo científico publicado en 2010

Excess entropy scaling of transport properties in network-forming ionic melts (SiO $_2$2 and BeF $_2$2) ⬇️

artículo científico publicado el 7 de enero de 2011

Excess entropy scaling of transport properties of Lennard-Jones chains

scientific article published on 01 October 2008

Fluctuation-driven anisotropic assembly in nanoscale systems

artículo científico publicado en 2013

Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: thiolated gold nanoparticles in ethane

artículo científico publicado en 2014

Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models

artículo científico publicado en 2015

Generating inherent structures of liquids: comparison of local minimization algorithms

artículo científico publicado en 2005

Hybrid Monte Carlo implementation of the Fourier path integral algorithm

artículo científico publicado en 2005

Hydration Behavior along the Folding Pathways of Trpzip4, Trpzip5 and Trpzip6.

artículo científico publicado en 2018

Ionic melts with waterlike anomalies: thermodynamic properties of liquid BeF2

scientific article published on 01 October 2007

Lindemann measures for the solid-liquid phase transition

artículo científico publicado en 2007

Local order, energy, and mobility of water molecules in the hydration shell of small peptides

artículo científico publicado en 2010

Modeling and Theory: general discussion

Multiple time scale behaviors and network dynamics in liquid methanol

scientific article published on 01 July 2008

Nanocomposites: general discussion

article

Onset of simple liquid behaviour in modified water models

artículo científico publicado en 2014

Path integral simulations of atomic and molecular systems

article

Potential-energy landscapes of simple liquids

scientific article published on 05 June 2002

Probing the triplet correlation function in liquid water by experiments and molecular simulations

artículo científico publicado en 2017

Relating composition, structural order, entropy and transport in multi-component molten salts ⬇️

artículo científico publicado el 14 de abril de 2012

Relating structure, entropy, and energy of solvation of nanoscale solutes: application to gold nanoparticle dispersions

artículo científico publicado en 2012

Relationship between structure, entropy, and diffusivity in water and water-like liquids

artículo científico publicado en 2010

Relationship between structure, entropy, and mobility in network-forming ionic melts.

artículo científico publicado en 2009

Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models

artículo científico publicado en 2016

Sensitivity of Protein Glass Transition to the Choice of Water Model

artículo científico publicado en 2016

Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model

artículo científico publicado en 2014

Spectral characterization of hydrogen bond network dynamics in water

artículo científico publicado en 2006

Spectral signatures of the diffusional anomaly in water

artículo científico publicado en 2005

Structural correlations and cooperative dynamics in supercooled liquids ⬇️

artículo científico publicado el 14 de julio de 2012

Synthesis of Nanoparticle Assemblies: general discussion

Tetrahedral order, pair correlation entropy, and waterlike liquid state anomalies: comparison of GeO2 with BeF2, SiO2, and H2O.

artículo científico publicado en 2010

The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core.

artículo científico publicado en 2017

Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models ⬇️

artículo científico publicado el 10 de mayo de 2011

Thiolated gold nanoparticle solvation in near-critical fluids: The role of density, temperature, and topology.

artículo científico publicado en 2017

Transport in nanoporous zeolites: relationships between sorbate size, entropy, and diffusivity

artículo científico publicado en 2012

Transport properties of tetrahedral, network-forming ionic melts.

artículo científico publicado en 2009

Triplet correlation functions in liquid water

artículo científico publicado en 2014

Triplet correlations dominate the transition from simple to tetrahedral liquids

artículo científico publicado en 2014

Tuning the tetrahedrality of the hydrogen-bonded network of water: Comparison of the effects of pressure and added salts

artículo científico publicado en 2016

Water and other tetrahedral liquids: order, anomalies and solvation

artículo científico publicado el 27 de junio de 2012

Water and water-like liquids: relationships between structure, entropy and mobility

artículo científico publicado en 2013

Water-like Anomalies and Phase Behavior of a Pair Potential that Stabilizes Diamond.

artículo científico publicado en 2015

Water: A Tale of Two Liquids.

artículo científico publicado en 2016

Waterlike structural and excess entropy anomalies in liquid beryllium fluoride

artículo científico publicado en 2007

Lista de obras de Charusita Chakravarty

An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to Li4 and Li5+

Applications to Soft Matter: general discussion

Comparison of Tetrahedral Order, Liquid State Anomalies, and Hydration Behavior of mTIP3P and TIP4P Water Models

Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

Core-softened fluids, water-like anomalies, and the liquid-liquid critical points

Determining landscape-based criteria for freezing of liquids

Diffusional anomaly and network dynamics in liquid silica

Diffusivity, excess entropy, and the potential-energy landscape of monatomic liquids

Effect of ionic solutes on the hydrogen bond network dynamics of water: power spectral analysis of aqueous NaCl solutions

Effective interactions between nanoparticles: Creating temperature-independent solvation environments for self-assembly

Energy Landscapes of Quantum Lennard-Jones Solids ⬇️

Entropy, diffusivity and the energy landscape of a waterlike fluid

Entropy, diffusivity, and structural order in liquids with waterlike anomalies

Entropy, local order, and the freezing transition in Morse liquids

Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids

Excess entropy and structural transitions in a two-dimensional square-shoulder fluid

Excess entropy scaling of transport properties in network-forming ionic melts (SiO $_2$2 and BeF $_2$2) ⬇️

Excess entropy scaling of transport properties of Lennard-Jones chains

Fluctuation-driven anisotropic assembly in nanoscale systems

Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: thiolated gold nanoparticles in ethane

Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models

Generating inherent structures of liquids: comparison of local minimization algorithms

Hybrid Monte Carlo implementation of the Fourier path integral algorithm

Hydration Behavior along the Folding Pathways of Trpzip4, Trpzip5 and Trpzip6.

Ionic melts with waterlike anomalies: thermodynamic properties of liquid BeF2

Lindemann measures for the solid-liquid phase transition

Local order, energy, and mobility of water molecules in the hydration shell of small peptides

Modeling and Theory: general discussion

Multiple time scale behaviors and network dynamics in liquid methanol

Nanocomposites: general discussion

Onset of simple liquid behaviour in modified water models

Path integral simulations of atomic and molecular systems

Potential-energy landscapes of simple liquids

Probing the triplet correlation function in liquid water by experiments and molecular simulations

Relating composition, structural order, entropy and transport in multi-component molten salts ⬇️

Relating structure, entropy, and energy of solvation of nanoscale solutes: application to gold nanoparticle dispersions

Relationship between structure, entropy, and diffusivity in water and water-like liquids

Relationship between structure, entropy, and mobility in network-forming ionic melts.

Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models

Sensitivity of Protein Glass Transition to the Choice of Water Model

Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model

Spectral characterization of hydrogen bond network dynamics in water

Spectral signatures of the diffusional anomaly in water

Structural correlations and cooperative dynamics in supercooled liquids ⬇️

Synthesis of Nanoparticle Assemblies: general discussion

Tetrahedral order, pair correlation entropy, and waterlike liquid state anomalies: comparison of GeO2 with BeF2, SiO2, and H2O.

The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core.

Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models ⬇️

Thiolated gold nanoparticle solvation in near-critical fluids: The role of density, temperature, and topology.

Transport in nanoporous zeolites: relationships between sorbate size, entropy, and diffusivity

Transport properties of tetrahedral, network-forming ionic melts.

Triplet correlation functions in liquid water

Triplet correlations dominate the transition from simple to tetrahedral liquids

Tuning the tetrahedrality of the hydrogen-bonded network of water: Comparison of the effects of pressure and added salts

Water and other tetrahedral liquids: order, anomalies and solvation

Water and water-like liquids: relationships between structure, entropy and mobility

Water-like Anomalies and Phase Behavior of a Pair Potential that Stabilizes Diamond.

Water: A Tale of Two Liquids.

Waterlike structural and excess entropy anomalies in liquid beryllium fluoride