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Peter J. Rossky
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Journal Articles

Isotopic equilibria in aqueous clusters at low temperatures: Insights from the MB-pol many-body potential

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Pablo E. Videla, Peter J. Rossky, Daniel Laria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 084303 (2018)
https://doi.org/10.1063/1.5019377
Published: February 2018
View articletitled, Isotopic equilibria in aqueous clusters at low temperatures: Insights from the MB-pol many-body potential
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Includes: Supplementary data
Journal Articles

Isotope effects in aqueous solvation of simple halides

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Pablo E. Videla, Peter J. Rossky, D. Laria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 102306 (2018)
https://doi.org/10.1063/1.4986231
Published: September 2017
View articletitled, Isotope effects in aqueous solvation of simple halides
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Journal Articles

Communication: Isotopic effects on tunneling motions in the water trimer

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Pablo E. Videla, Peter J. Rossky, D. Laria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 061101 (2016)
https://doi.org/10.1063/1.4941701
Published: February 2016
View articletitled, Communication: Isotopic effects on tunneling motions in the water trimer
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Includes: Supplementary data
Journal Articles

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium

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Kyle K. G. Smith, Jens Aage Poulsen, Gunnar Nyman, Alessandro Cunsolo, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 244113 (2015)
https://doi.org/10.1063/1.4922888
Published: June 2015
View articletitled, Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium
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Includes: Supplementary data
Journal Articles

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems

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Kyle K. G. Smith, Jens Aage Poulsen, Gunnar Nyman, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 244112 (2015)
https://doi.org/10.1063/1.4922887
Published: June 2015
View articletitled, A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems
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Journal Articles

Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation

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Kyle K. G. Smith, Jens Aage Poulsen, A. Cunsolo, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 034501 (2014)
https://doi.org/10.1063/1.4851997
Published: January 2014
View articletitled, Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation
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Includes: Supplementary data
Journal Articles

Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures

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Pablo E. Videla, Peter J. Rossky, D. Laria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 174315 (2013)
https://doi.org/10.1063/1.4827935
Published: November 2013
View articletitled, Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures
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Journal Articles

A quantum molecular dynamics study of aqueous solvation dynamics

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Pablo E. Videla, Peter J. Rossky, D. Laria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 164506 (2013)
https://doi.org/10.1063/1.4826347
Published: October 2013
View articletitled, A quantum molecular dynamics study of aqueous solvation dynamics
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Journal Articles

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

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John R. Dowdle, Sergey V. Buldyrev, H. Eugene Stanley, Pablo G. Debenedetti, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 064506 (2013)
https://doi.org/10.1063/1.4789981
Published: February 2013
View articletitled, Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid
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Includes: Supplementary data
Journal Articles

A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates

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Andrew L. Ferguson, Nicolás Giovambattista, Peter J. Rossky, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 144501 (2012)
https://doi.org/10.1063/1.4755750
Published: October 2012
View articletitled, A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates
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Includes: Supplementary data
Journal Articles

Modeling simple amphiphilic solutes in a Jagla solvent

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Zhiqiang Su, Sergey V. Buldyrev, Pablo G. Debenedetti, Peter J. Rossky, H. Eugene Stanley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 044511 (2012)
https://doi.org/10.1063/1.3677185
Published: January 2012
View articletitled, Modeling simple amphiphilic solutes in a Jagla solvent
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Journal Articles

Quantum-classical simulation of electron localization in negatively charged methanol clusters

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Letif Mones, Peter J. Rossky, László Turi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 135, 084501 (2011)
https://doi.org/10.1063/1.3624366
Published: August 2011
View articletitled, Quantum-classical simulation of electron localization in negatively charged methanol clusters
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Journal Articles

Analysis of localization sites for an excess electron in neutral methanol clusters using approximate pseudopotential quantum-mechanical calculations

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Letif Mones, Peter J. Rossky, László Turi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 144510 (2010)
https://doi.org/10.1063/1.3503506
Published: October 2010
View articletitled, Analysis of localization sites for an excess electron in neutral methanol clusters using approximate pseudopotential quantum-mechanical calculations
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Journal Articles

Response to “Comment on ‘An electron-water pseudopotential for condensed phase simulation’ ” [J. Chem. Phys. 131 , 037101 (2009)]

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Jurgen Schnitker, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 037102 (2009)
https://doi.org/10.1063/1.3175802
Published: July 2009
View articletitled, Response to “Comment on ‘An electron-water pseudopotential for condensed phase simulation’ ” [J. Chem. Phys. 131 , 037101 (2009)]
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Journal Articles

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

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László Turi, György Hantal, Peter J. Rossky, Daniel Borgis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 024119 (2009)
https://doi.org/10.1063/1.3173276
Published: July 2009
View articletitled, Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron
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Journal Articles

Interior- and surface-bound excess electron states in large water cluster anions

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Ádám Madarász, Peter J. Rossky, László Turi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 130, 124319 (2009)
https://doi.org/10.1063/1.3094732
Published: March 2009
View articletitled, Interior- and surface-bound excess electron states in large water cluster anions
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Journal Articles

The effect of sequence on the conformational stability of a model heteropolymer in explicit water

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Bryan A. Patel, Pablo G. Debenedetti, Frank H. Stillinger, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 175102 (2008)
https://doi.org/10.1063/1.2909974
Published: May 2008
View articletitled, The effect of sequence on the conformational stability of a model heteropolymer in explicit water
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Includes: Supplementary data
Journal Articles

Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

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Daniel Borgis, Peter J. Rossky, László Turi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 127, 174508 (2007)
https://doi.org/10.1063/1.2780868
Published: November 2007
View articletitled, Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron
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Journal Articles

Excess electron relaxation dynamics at water/air interfaces

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Ádám Madarász, Peter J. Rossky, László Turi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 234707 (2007)
https://doi.org/10.1063/1.2741514
Published: June 2007
View articletitled, Excess electron relaxation dynamics at water/air interfaces
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Journal Articles

Evaluation of quantum correlation functions from classical data: Anharmonic models

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Hyojoon Kim, Peter J. Rossky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 074107 (2006)
https://doi.org/10.1063/1.2274412
Published: August 2006
View articletitled, Evaluation of quantum correlation functions from classical data: Anharmonic models
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