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List of works by 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

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

scientific article published on 23 November 2016

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

scientific article published in December 2016

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

scientific article published on 01 July 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

scientific article published in June 2016

Energy Landscapes of Quantum Lennard-Jones Solids ⬇️

scientific article published on 01 April 2011

Entropy, diffusivity and the energy landscape of a waterlike fluid

scientific article published on 01 June 2010

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

scientific article published on November 2006

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

scientific article published on 13 July 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

scientific article published on 01 February 2010

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

scientific article published on 01 January 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

scientific article published on 05 June 2013

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

scientific article published on October 2014

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

scientific article published on 16 July 2015

Generating inherent structures of liquids: comparison of local minimization algorithms

scientific article published in November 2005

Hybrid Monte Carlo implementation of the Fourier path integral algorithm

scientific article published in July 2005

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

scientific article

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

scientific article published on 01 May 2007

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

scientific article published in January 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

scientific article published on 01 April 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

scientific article published on 13 January 2017

Relating Structure, Entropy, and Energy of Solvation of Nanoscale Solutes: Application to Gold Nanoparticle Dispersions ⬇️

scientific article published on October 22, 2012

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

scientific article published on April 14, 2012

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

scientific article published in May 2010

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

scientific article published on 25 March 2009

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

scientific article published on 01 June 2016

Sensitivity of Protein Glass Transition to the Choice of Water Model

scientific article published on 11 October 2016

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

scientific article published on 02 April 2014

Spectral characterization of hydrogen bond network dynamics in water

scientific article published in August 2006

Spectral signatures of the diffusional anomaly in water

scientific article published on 01 March 2005

Structural correlations and cooperative dynamics in supercooled liquids ⬇️

scientific article published on July 14, 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.

scientific article published on June 2010

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

scientific article

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

scientific article published on May 10, 2011

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

scientific article published in May 2017

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

scientific article published in May 2012

Transport properties of tetrahedral, network-forming ionic melts.

scientific article published in November 2009

Triplet correlation functions in liquid water

scientific article published in November 2014

Triplet correlations dominate the transition from simple to tetrahedral liquids

scientific article published on 10 April 2014

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

scientific article published on 01 June 2016

Water and other tetrahedral liquids: order, anomalies and solvation

scientific article published on June 27, 2012

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

scientific article

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

scientific article published on 12 October 2015

Water: A Tale of Two Liquids.

scientific article

Waterlike structural and excess entropy anomalies in liquid beryllium fluoride

scientific article

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