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Predictions of the interfacial free energy along the coexistence line from single-state calculations
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2024
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Ignacio SanchezâBurgos
Pablo Montero de Hijes
Eduardo Sanz
Carlos Vega
Jorge R. Espinosa
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Chiral quantum optics: recent developments, and future directions
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2024
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D. G. SuĂĄrez-Forero
Mahmoud Jalali Mehrabad
Carlos Vega
Alejandro GonzĂĄlez-Tudela
Mohammad Hafezi
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Solid-liquid interfacial free energy from computer simulations:
Challenges and recent advances
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2024
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Nicodemo Di Pasquale
JesĂșs Algaba
Pablo Montero de Hijes
Ignacio SanchezâBurgos
Andrés R. Tejedor
Stephen R. Yeandel
Felipe J. Blas
Ruslan L. Davidchack
Jorge R. Espinosa
Colin L. Freeman
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Statistical mechanics of crystal nuclei of hard spheres
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2024
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Marjolein de Jager
Carlos Vega
Pablo Montero de Hijes
Frank Smallenburg
Laura Filion
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Predictions of the interfacial free energy along the coexistence line
from single-state calculations
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2024
|
Ignacio SanchezâBurgos
Pablo Montero de Hijes
Eduardo Sanz
Carlos Vega
Jorge R. Espinosa
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Statistical mechanics of crystal nuclei of hard spheres
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2024
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Marjolein de Jager
Carlos Vega
Pablo Montero de Hijes
Frank Smallenburg
Laura Filion
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Topological, multi-mode amplification induced by non-reciprocal,
long-range dissipative couplings
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2024
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Carlos Vega
A. Muñoz de las Heras
Diego Porras
Alejandro GonzĂĄlez-Tudela
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Variational umbrella seeding for calculating nucleation barriers
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2024
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Willem Gispen
Jorge R. Espinosa
Eduardo Sanz
Carlos Vega
Marjolein Dijkstra
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Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
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2024
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S. Blazquez
JesĂșs Algaba
JosĂ© Manuel MıÌguez
Carlos Vega
Felipe J. Blas
M. M. Conde
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Variational Umbrella Seeding for Calculating Nucleation Barriers
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2024
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Willem Gispen
Jorge R. Espinosa
Eduardo Sanz
Carlos Vega
Marjolein Dijkstra
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Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property
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2023
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S. Blazquez
J. L. F. Abascal
J P Lagerweij
Parsa Habibi
Poulumi Dey
Thijs J. H. Vlugt
Othonas A. Moultos
Carlos Vega
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
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2023
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JesĂșs Algaba
IvĂĄn M. ZerĂłn
JosĂ© Manuel MıÌguez
Joanna Grabowska
S. Blazquez
Eduardo Sanz
Carlos Vega
Felipe J. Blas
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Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
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2023
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S. Blazquez
Carlos Vega
M. M. Conde
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Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
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2023
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Pablo Montero de Hijes
Jorge R. Espinosa
Carlos Vega
Christoph Dellago
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Melting points of water models: Current situation
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2022
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S. Blazquez
Carlos Vega
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The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions Fâ, Brâ, Iâ, Rb+, and Cs+
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2022
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S. Blazquez
M. M. Conde
J. L. F. Abascal
Carlos Vega
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Spacetime distances: an exploration
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2021
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Carlos Vega
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âIn Silicoâ Seawater
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2021
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IvĂĄn M. ZerĂłn
Miguel A. GonzĂĄlez
Edoardo Errani
Carlos Vega
J. L. F. Abascal
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Anomalous Behavior in the Nucleation of Ice at Negative Pressures
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2021
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Valentino Bianco
Pablo Montero de Hijes
Cintia P. Lamas
Eduardo Sanz
Carlos Vega
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Spacetime distances: an exploration
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2021
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Carlos Vega
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Equivalence between condensation and boiling in a Lennard-Jones fluid
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2020
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Ignacio SanchezâBurgos
Pablo Montero de Hijes
P. Rosales-Pelaez
Carlos Vega
Eduardo Sanz
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The YoungâLaplace equation for a solidâliquid interface
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2020
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Pablo Montero de Hijes
Kaihang Shi
Eva G. Noya
Erik E. Santiso
Keith E. Gubbins
Eduardo Sanz
Carlos Vega
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Interfacial Free Energy and Tolman Length of Curved LiquidâSolid Interfaces from Equilibrium Studies
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2020
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Pablo Montero de Hijes
Jorge R. Espinosa
Valentino Bianco
Eduardo Sanz
Carlos Vega
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Seeding approach to nucleation in the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>N</mml:mi><mml:mi>V</mml:mi><mml:mi>T</mml:mi></mml:mrow></mml:math> ensemble: The case of bubble cavitation in overstretched Lennard Jones fluids
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2020
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P. Rosales-Pelaez
Ignacio SanchezâBurgos
Chantal Valeriani
Carlos Vega
Eduardo Sanz
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Seeding approach to bubble nucleation in superheated Lennard-Jones fluids
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2019
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P. Rosales-Pelaez
Marta Irene GarcĂa Cid
Chantal Valeriani
Carlos Vega
Eduardo Sanz
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A force field of Li+, Na+, K+, Mg2+, Ca2+, Clâ, and SO42â in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
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2019
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IvĂĄn M. ZerĂłn
J. L. F. Abascal
Carlos Vega
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Heterogeneous <i>versus</i> homogeneous crystal nucleation of hard spheres
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2019
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Jorge R. Espinosa
Carlos Vega
Chantal Valeriani
Daan Frenkel
Eduardo Sanz
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Homogeneous Ice Nucleation Rate in Water Droplets
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2018
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Jorge R. Espinosa
Carlos Vega
Eduardo Sanz
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Rigidity in vacuum under conformal symmetry
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2018
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Gregory J. Galloway
Carlos Vega
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Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: a simulation study
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2018
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Alberto Zaragoza
Jorge R. Espinosa
Regina Ramos
J.A. Cobos
Juan L. Aragones
Carlos Vega
Eduardo Sanz
Jorge RamıÌrez
Chantal Valeriani
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A simulation study of homogeneous ice nucleation in supercooled salty water
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2018
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Guiomar Delgado Soria
Jorge R. Espinosa
Jorge RamıÌrez
Chantal Valeriani
Carlos Vega
Eduardo Sanz
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Hausdorff Closed Limits and Rigidity in Lorentzian Geometry
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2017
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Gregory J. Galloway
Carlos Vega
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Diluting the Scalability Boundaries: Exploring the Use of Disaggregated Architectures for High-Level Network Data Analysis
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2017
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Carlos Vega
José Fernando Zazo
Hugo Meyer
Ferad Zyulkyarov
Sergio Lopez Buedo
Javier Aracil
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Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation
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2016
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Jorge R. Espinosa
Alberto Zaragoza
P. Rosales-Pelaez
C. Navarro
Chantal Valeriani
Carlos Vega
Eduardo Sanz
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Null distance on a spacetime
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2016
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Christina Sormani
Carlos Vega
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Water: one molecule, two surfaces, one mistake
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2015
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Carlos Vega
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Homogeneous ice nucleation evaluated for several water models
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2014
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Jorge R. Espinosa
Eduardo Sanz
Chantal Valeriani
Carlos Vega
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The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
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2014
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Jorge R. Espinosa
Carlos Vega
Eduardo Sanz
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Achronal Limits, Lorentzian Spheres, and Splitting
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2014
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Gregory J. Galloway
Carlos Vega
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Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
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2013
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M. M. Conde
Miguel A. GonzĂĄlez
J. L. F. Abascal
Carlos Vega
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Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation
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2013
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Eduardo Sanz
Carlos Vega
Jorge R. Espinosa
R. Caballero-Bernal
J. L. F. Abascal
Chantal Valeriani
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Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole
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2013
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GermĂĄn PĂ©rezâSĂĄnchez
Diego GonzĂĄlez-Salgado
Manuel M. Piñeiro
Carlos Vega
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New Approaches to Spacetime Rigidity and Splitting
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2013
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Carlos Vega
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Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
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2012
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Aleks Reinhardt
Jonathan P. K. Doye
Eva G. Noya
Carlos Vega
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Achronal limits, Lorentzian spheres, and splitting
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2012
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Gregory J. Galloway
Carlos Vega
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Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS
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2012
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Juan L. Aragones
Chantal Valeriani
Carlos Vega
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Calculation of the melting point of alkali halides by means of computer simulations
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2012
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Juan L. Aragones
Eduardo Sanz
Chantal Valeriani
Carlos Vega
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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
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2012
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Carl McBride
Juan L. Aragones
Eva G. Noya
Carlos Vega
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The phase diagram of water from quantum simulations
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2012
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Carl McBride
Eva G. Noya
Juan L. Aragones
M. M. Conde
Carlos Vega
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Achronal limits, Lorentzian spheres, and splitting
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2012
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Gregory J. Galloway
Carlos Vega
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Path integral Monte Carlo simulations for rigid rotors and their application to water
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2010
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Eva G. Noya
Luis M. Sesé
Rafael RamıÌrez
Carl McBride
M. M. Conde
Carlos Vega
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The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry
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2010
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Eva G. Noya
Carlos Vega
Jonathan P. K. Doye
Ard A. Louis
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Quantum contributions in the ice phases: The path to a new empirical model for waterâTIP4PQ/2005
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2009
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Carl McBride
Carlos Vega
Eva G. Noya
Rafael RamıÌrez
Luis M. Sesé
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Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
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2009
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Helena L. Pi
Juan L. Aragones
Carlos Vega
Eva G. Noya
J. L. F. Abascal
Miguel A. GonzĂĄlez
Carl McBride
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Quantum contributions in the ice phases: the path to a new empirical model for water -- TIP4PQ/2005
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2009
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Carl McBride
Carlos Vega
Eva G. Noya
Rafael RamıÌrez
Luis M. Sesé
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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
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2008
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Juan L. Aragones
M. M. Conde
Eva G. Noya
Carlos Vega
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What ice can teach us about water interactions: a critical comparison of the performance of different water models
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2008
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Carlos Vega
J. L. F. Abascal
M. M. Conde
Juan L. Aragones
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Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins
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2008
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Eva G. Noya
M. M. Conde
Carlos Vega
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The thickness of a liquid layer on the free surface of ice as obtained from computer simulation
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2008
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M. M. Conde
Carlos Vega
A. Patrykiejew
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Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins
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2008
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Carlos Vega
Eduardo Sanz
J. L. F. Abascal
Eva G. Noya
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Phase diagram of model anisotropic particles with octahedral symmetry
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2007
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Eva G. Noya
Carlos Vega
Jonathan P. K. Doye
Ard A. Louis
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Absence of superheating for ice<b><i>I<sub>h</sub></i></b>with a free surface: a new method of determining the melting point of different water models
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2006
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Carlos Vega
Maria Martin-Conde
A. Patrykiejew
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Erratum: Solid-fluid equilibrium for a molecular model with short ranged directional forces [J. Chem. Phys. 109, 9938 (1998)]
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2006
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Carlos Vega
P. A. Monson
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Non-Markovian melting: a novel procedure to generate initial liquid like phases for small molecules for use in computer simulation studies
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2005
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Carl McBride
Carlos Vega
Eduardo Sanz
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The range of meta stability of ice-water melting for two simple models of water
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2005
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Carl McBride
Carlos Vega
Eduardo Sanz
Luis G. MacDowell
J. L. F. Abascal
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The properties of fully flexible Lennard-Jones chains in the solid phase: Wertheim theory and simulation
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2003
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Eduardo Sanz
Carl McBride
Carlos Vega
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Equation of state and critical behavior of polymer models: A quantitative comparison between Wertheimâs thermodynamic perturbation theory and computer simulations
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2000
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Luis G. MacDowell
Marcus MĂŒller
Carlos Vega
Kurt Binder
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Vaporâliquid equilibria of linear and branched alkanes from perturbation theory
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1998
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Luis G. MacDowell
Carlos Vega
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Application of Lorentz geometry to nonimaging optics: new three-dimensional ideal concentrators
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1996
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Manuel Gutiérrez
Juan C. Miñano
Carlos Vega
Pablo BenıÌtez
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On Rational Approximation to Semigroups of Linear Operators
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1987
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Arturo Ribagorda
Carlos Vega
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