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List of works by Pablo G. Debenedetti

A Computational Study of the Ionic Liquid-Induced Destabilization of the Miniprotein Trp-Cage

scientific article published on 4 April 2018

A cavitation transition in the energy landscape of simple cohesive liquids and glasses.

scientific article published in December 2016

A coarse-grained protein model in a water-like solvent

scientific article published on January 2013

Advances in Computational Studies of the Liquid-Liquid Transition in Water and Water-Like Models

scientific article published on 28 August 2018

Anneke Levelt Sengers: An international authority in the thermodynamics of fluids and a passionate advocate for women in science ⬇️

scholarly article published in 2024

Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems

scientific article published in March 2018

Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications

Chiral symmetry breaking in a microscopic model with asymmetric autocatalysis and inhibition ⬇️

scientific article published on December 14, 2010

Comment on "The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water" [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)].

scientific article published in April 2018

Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field

article

Communication: Relationship between local structure and the stability of water in hydrophobic confinement.

scientific article published in December 2017

Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure

scientific article published on 08 June 2018

Computational Investigation of the Effect of Pressure on Protein Stability

scientific article published on 04 April 2019

Dissecting the Energetics of Hydrophobic Hydration of Polypeptides ⬇️

scientific article published on November 16, 2011

Effects of disulfide bridges and backbone connectivity on water sorption by protein matrices

scientific article published on 11 August 2017

Erratum: "Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions" [J. Chem. Phys. 146, 034502 (2017)].

scientific article published in February 2018

Evaporation rate of water in hydrophobic confinement ⬇️

scientific article published on March 5, 2012

Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior

scientific article published on 17 May 2006

Formation of bioerodible polymeric microspheres and microparticles by rapid expansion of supercritical solutions

scientific article published on 01 September 1991

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions

scientific article published in January 2018

Free Energy Barriers to Evaporation of Water in Hydrophobic Confinement ⬇️

scientific article published on October 30, 2012

Genetic Algorithm Approach for the Optimization of Protein Antifreeze Activity Using Molecular Simulations

scientific article published on 17 November 2020

Hydrogen bond strength and network structure effects on hydration of non-polar molecules ⬇️

scientific article published on December 10, 2010

Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment

scientific article published on 30 April 2020

Long-term and high-temperature storage of supercritically-processed microparticulate protein powders

scientific article published on 01 October 1997

Low temperature protein refolding suggested by molecular simulation

scientific article published on 01 November 2019

Manifestations of metastable criticality in the long-range structure of model water glasses

scientific article published on 07 June 2021

Microscopic Origin of Hysteresis in Water Sorption on Protein Matrices.

scientific article

Modeling simple amphiphilic solutes in a Jagla solvent.

scientific article published in January 2012

Molecular Dynamics Study of Carbon Dioxide Hydrate Dissociation ⬇️

scientific article published on March 23, 2011

Molecular modeling of mechanical stresses on proteins in glassy matrices: Formalism ⬇️

scientific article published on July 21, 2012

Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal

scientific article published on 01 March 2019

Pattern of property extrema in supercooled and stretched water models and a new correlation for predicting the stability limit of the liquid state

scientific article published on 01 February 2019

Perspective: Surface freezing in water: A nexus of experiments and simulations.

scientific article published in August 2017

Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional

scientific article published on 15 April 2021

Phase transitions, Kauzmann curves, and inverse melting ⬇️

scientific article published on September 1, 2003

Properties of model atomic free-standing thin films ⬇️

scientific article published on March 21, 2011

Second critical point in two realistic models of water

scientific article

Signatures of a liquid-liquid transition in an ab initio deep neural network model for water

scientific article published on 02 October 2020

Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid

scientific article published in Nature

Stability of Protein Structure during Nanocarrier Encapsulation: Insights on Solvent Effects from Simulations and Spectroscopic Analysis

scientific article published on 19 November 2020

Structural order in glassy water

scientific article published on 30 June 2005

Structure of the first- and second-neighbor shells of simulated water: quantitative relation to translational and orientational order

scientific article published on 09 November 2007

Structure, dynamics, and thermodynamics of a family of potentials with tunable softness ⬇️

scientific article published on August 28, 2011

Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid

scientific article published in February 2013

Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water

scientific article published on 01 June 2019

Tribute to H. Eugene Stanley ⬇️

scientific article published on December 8, 2011

Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions ⬇️

scientific article published on January 2017

Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration.

scientific article published on 11 December 2017

Water's two-critical-point scenario in the Ising paradigm

scientific article published on 01 June 2019

Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths

scholarly article

Waterlike glass polyamorphism in a monoatomic isotropic Jagla model

scientific article

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