P. Rossky

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Brownian dynamics as smart Monte Carlo simulation

J. D. Doll, J. Doll, P. Rossky, 1978 .

The equilibrium solvation structure for the solvent‐separated hydrophobic bond

P. Rossky, D. Zichi, 1985 .

The effect of vicinal polar and charged groups on hydrophobic hydration.

P. Rossky, Y. K. Cheng, Y K Cheng, 1999, Biopolymers.

Hydrophobic hydration of amphipathic peptides.

P. Rossky, Y. K. Cheng, W. Sheu, 1999, Biophysical journal.

Transformation of the electrical characteristics of graphene field-effect transistors with fluoropolymer.

P. Rossky, Jongho Lee, D. Akinwande, 2013, ACS applied materials & interfaces.

Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations

P. Rossky, B. Schwartz, E. Bittner, 1996 .

Quantum decoherence in mixed quantum‐classical systems: Nonadiabatic processes

P. Rossky, E. Bittner, 1995 .

Mean-field molecular dynamics with surface hopping

P. Rossky, O. Prezhdo, 1997 .

RELATIONSHIP BETWEEN QUANTUM DECOHERENCE TIMES AND SOLVATION DYNAMICS IN CONDENSED PHASE CHEMICAL SYSTEMS

P. Rossky, O. Prezhdo, 1998, quant-ph/9804004.

The structure of liquid water at an extended hydrophobic surface

J. Andrew McCammon, Peter J. Rossky, P. Rossky, 1984 .

Device Chemistry of Graphene Transistors

P. Rossky, S. Park, D. Akinwande, 2019, 1906.05734.

Model dependence of quantum isotope effects in liquid water

P. Rossky, Gabriela S. Del Buono, G. Buono, 1991 .

An insight into non-emissive excited states in conjugated polymers

Robert J. Ono, P. Rossky, A. Willard, 2015, Nature Communications.

SOLVATION. A MOLECULAR DYNAMICS STUDY OF A DIPEPTIDE IN WATER.

Martin Karplus, Peter J. Rossky, M. Karplus, 1979 .

Integral equation model for aqueous solvatlon of polyatomic solutes: Application to the determination of the free energy surface for the internal motion of biomolecules

M. Karplus, P. Rossky, B. Pettitt, 1986 .

Sodium chloride ion pair interaction in water: computer simulation

J. Andrew McCammon, Peter J. Rossky, Max L. Berkowitz, 1984 .

A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study

Peter J. Rossky, P. Rossky, S. Lee, 1994 .

Quantum simulation study of the hydrated electron

Peter J. Rossky, P. Rossky, J. Schnitker, 1987 .

Chemical Understanding of the Mechanisms Involved in Mitigation of Charged Impurity Effects by Polar Molecules on Graphene

P. Rossky, A. Dodabalapur, B. Worley, 2016 .

Molecular Simulation of a Chemical Reaction in Supercritical Water

P. Rossky, K. Johnston, P. Balbuena, 1994 .

COMPUTER SIMULATION STUDY OF AN SN2 REACTION IN SUPERCRITICAL WATER

P. Rossky, K. Johnston, P. Balbuena, 1995 .

Origins of nonexponential decay in single molecule measurements of rotational dynamics.

Richard K. Darst, P. Rossky, D. V. Vanden Bout, 2005, Physical review letters.

Temperature and Density Effects on an SN2 Reaction in Supercritical Water

Lewis W. Flanagin, P. Rossky, K. Johnston, 1995 .

AQUEOUS ION TRANSPORT PROPERTIES AND WATER REORIENTATION DYNAMICS FROM AMBIENT TO SUPERCRITICAL CONDITIONS

P. Rossky, K. Johnston, P. Balbuena, 1998 .

The role of specific solvent modes in the non-radiative relaxation of an excess electron in methanol

P. Rossky, O. Prezhdo, A. Mosyak, 1999 .

A dynamical analysis of energy level fluctuations for an excess electron in methanol

P. Rossky, L. Túri, A. Mosyak, 1998 .

Solvation dynamics of an excess electron in methanol and water

P. Rossky, O. Prezhdo, A. Mosyak, 1998 .

THE ISOTOPE EFFECT IN SOLVATION DYNAMICS AND NONADIABATIC RELAXATION : A QUANTUM SIMULATION STUDY OF THE PHOTOEXCITED SOLVATED ELECTRON IN D2O

P. Rossky, B. Schwartz, 1996 .

Quantum dynamics simulation with approximate eigenstates

P. Rossky, Tim H. Murphrey, 1995 .

Structural and Dynamical Quantum Effects in Aqueous Solution

P. Rossky, 1994 .

Simulation of Electronic Spectroscopy and Relaxation in Aqueous Solution

P. Rossky, W. Sheu, Tim H. Murphrey, 1994 .

Polarized Ultrafast Transient Spectroscopy of the Hydrated Electron: Quantum Non-Adiabatic Molecular Dynamics Simulation

P. Rossky, B. Schwartz, 1994, Ultrafast Phenomena.

Pump–probe spectroscopy of the hydrated electron: A quantum molecular dynamics simulation

P. Rossky, B. Schwartz, 1994 .

Electronic Relaxation Dynamics in Solution

P. Rossky, B. Schwartz, W. Sheu, 1994, Ultrafast Phenomena.

Dynamics of electron photodetachment from an aqueous halide ion

P. Rossky, W. Sheu, Wen-Shyan Sheu, 1993 .

The electronic dynamics of photoexcited aqueous iodide

P. Rossky, W. Sheu, Wen-Shyan Sheu, 1993 .

Kinetic analysis of computer experiments on electron hydration dynamics

P. Rossky, E. Keszei, S. Nagy, 1993 .

A comparison of classical and quantum analyses of electron localization sites in liquid water

P. Rossky, J. Schnitker, K. Motakabbir, 1992 .

How protein surfaces induce anomalous dynamics of hydration water.

P. Rossky, M. Marchi, F. Sterpone, 2007, The journal of physical chemistry. B.

The hydrated electron: quantum simulation of structure, spectroscopy, and dynamics

P. Rossky, J. Schnitker, 1988 .

Excitonic energy migration in conjugated polymers: the critical role of interchain morphology.

Robert J. Ono, P. Rossky, Bo Shuang, 2014, Journal of the American Chemical Society.

Calculated photon echo signals for the aqueous solvated electron: The origin of ultrafast electronic dephasing

P. Rossky, B. Schwartz, S. Rosenthal, 1994 .

Relating Chromophoric and Structural Disorder in Conjugated Polymers.

P. Rossky, L. Simine, 2016, The journal of physical chemistry letters.

Theoretical studies of aqueous solution structure

P. Rossky, 1985 .

An Exploration of the Relationship between Solvation Dynamics and Spectrally Determined Solvent Response Functions by Computer Simulation

P. Rossky, B. Schwartz, 1995 .

Transient photophysical hole‐burning spectroscopy of the hydrated electron: A quantum dynamical simulation

P. Rossky, J. Schnitker, K. Motakabbir, 1989 .

Dynamic Elements of Transient Spectral Hole Burning of the Hydrated Electron

P. Rossky, B. Schwartz, 1994 .

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

Andrew L. Ferguson, P. Rossky, P. Debenedetti, 2012, The Journal of chemical physics.

Communication: Isotopic effects on tunneling motions in the water trimer.

P. Rossky, D. Laria, Pablo E. Videla, 2016, The Journal of chemical physics.

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

P. Rossky, D. Borgis, L. Túri, 2009, The Journal of chemical physics.

Quantized time correlation function approach to nonadiabatic decay rates in condensed phase: application to solvated electrons in water and methanol.

P. Rossky, D. Borgis, L. Túri, 2005, The Journal of chemical physics.

Instantaneous normal mode analysis of hydrated electron solvation dynamics

P. Rossky, M. Skaf, Kim F. Wong, 2001 .

On the nature of pre-existing states for an excess electron in water

P. Rossky, K. Motakabbir, 1989 .

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

P. Rossky, J. Schnitker, 2009 .

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

P. Rossky, D. Borgis, L. Túri, 2007, The Journal of chemical physics.

The interplay of dielectric and mechanical relaxation in solvation dynamics

P. Rossky, B. Schwartz, 1995 .

Nonadiabatic processes in condensed matter: semi-classical theory and implementation

Richard A. Friesner, Peter J. Rossky, P. Rossky, 1991 .

Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations

P. Rossky, O. Prezhdo, 1997 .

An analysis of electronic dephasing in the spin-boson model.

P. Rossky, Hyonseok Hwang, 2004, The Journal of chemical physics.

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

P. Rossky, D. Laria, Pablo E. Videla, 2018, The Journal of chemical physics.

An ansatz-based variational path integral centroid approach to vibrational energy relaxation in simple liquids

P. Rossky, J. Poulsen, 2001 .

A second-order Kubo response theory-centroid approach to vibrational energy relaxation for single-mode excitations

P. Rossky, G. Nyman, J. Poulsen, 2002 .

Excess electron migration in liquid water

P. Rossky, J. Schnitker, 1989 .

Stationary phase surface hopping for nonadiabatic dynamics: Two-state systems

Richard A. Friesner, Peter J. Rossky, P. Rossky, 1994 .

An electron–water pseudopotential for condensed phase simulation

P. Rossky, J. Schnitker, 1987 .

Exploring nanoscale hydrophobic hydration.

P. Rossky, 2010, Faraday discussions.

Aqueous solvation dynamics with a quantum mechanical Solute: Computer simulation studies of the photoexcited hydrated electron

Benjamin J. Schwartz, Peter J. Rossky, P. Rossky, 1994 .

Electronic Excited State Lifetimes of Anionic Water Clusters: Dependence on Charge Solvation Motif.

P. Rossky, D. Borgis, L. Túri, 2017, The journal of physical chemistry letters.

A comparative study of imaginary time path integral based methods for quantum dynamics.

Gregory A Voth, Peter J Rossky, P. Rossky, 2006, The Journal of chemical physics.

Direct observation of backbone planarization via side-chain alignment in single bulky-substituted polythiophenes

P. Rossky, R. Hildner, A. Köhler, 2018, Proceedings of the National Academy of Sciences.

Molecular dynamics study of solvation in urea-water solution

R. A. Kuharski, P. Rossky, 1984 .

Solvation of Hydrophobic Species in Aqueous Urea Solution: A Molecular Dynamics Study

R. A. Kuharski, P. Rossky, 1984 .

Structural and Electronic Characterization of Chemical and Conformational Defects in Conjugated Polymers

P. Rossky, P. Barbara, B. Bagchi, 2001 .

Hydrophobic and Ionic Hydration Phenomena a

P. Rossky, 1986, Annals of the New York Academy of Sciences.

Molecular Dynamics Simulation of Electrolyte Solutions in Ambient and Supercritical Water. 1. Ion Solvation

P. Rossky, K. Johnston, P. Balbuena, 1996 .

Thermal stability of hydrophobic helical oligomers: a lattice simulation study in explicit water.

F. Stillinger, P. Rossky, P. Debenedetti, 2012, The journal of physical chemistry. B.

Understanding the Effectiveness of Fluorocarbon Ligands in Dispersing Nanoparticles in Supercritical Carbon Dioxide

P. Rossky, V. Dalvi, V. Srinivasan, 2010 .

Generalized recursive solutions to Ornstein-Zernike integral equations

P. Rossky, William D. T. Dale, 1980 .

The Structure of Polar Molecular Liquids

P. Rossky, 1985 .

The contribution of intramolecular vibrations to the observed structure of liquid water

R. A. Kuharski, P. Rossky, 1985 .

The enumeration of Goldstone diagrams in many-body perturbation theory

M. Karplus, P. Rossky, 1976 .

Decoherent histories and nonadiabatic quantum molecular dynamics simulations

P. Rossky, E. Bittner, 1997, physics/9708021.

Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked oligophenylenevinylenes.

P. Rossky, F. Sterpone, Michael J. Bedard-Hearn, 2009, The journal of physical chemistry. A.

Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates.

P. Rossky, P. Debenedetti, N. Giovambattista, 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

Singular value decomposition analysis of spectroelectrochemical redox chemistry in supramolecular dye nanotubes

P. Rossky, K. Stevenson, J. Rabe, 2011 .

Effect of temperature on the structure and phase behavior of water confined by hydrophobic, hydrophilic, and heterogeneous surfaces.

P. Rossky, P. Debenedetti, N. Giovambattista, 2009, The journal of physical chemistry. B.

Solvent Mode Participation in the Nonradiative Relaxation of the Hydrated Electron

P. Rossky, O. Prezhdo, 1996, chem-ph/9604003.

Relating Chromophoric and Structural Disorder in Conjugated Polymers.

P. Rossky, L. Simine, 2016, The journal of physical chemistry letters.

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

P. Rossky, G. Nyman, A. Cunsolo, 2015, The Journal of chemical physics.

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

P. Rossky, A. Cunsolo, Kyle K G Smith, 2014, The Journal of chemical physics.

Nano Mechanical Analysis of IFM Force Profiles on Self-Assembled Monolayers

P. Rossky, Mingji Wang, J. White, 2005 .

Graphene/fluoropolymer hybrid materials with enhancement of all device properties for improved field-effect transistors

P. Rossky, Jongho Lee, R. Ruoff, 2013, 2013 IEEE International Electron Devices Meeting.

Hydrophobicity of protein surfaces: Separating geometry from chemistry

Carlos F. Lopez, P. Rossky, P. Debenedetti, 2008, Proceedings of the National Academy of Sciences.

Continuum Electrostatics Model for Ion Solvation and Relative Acidity of HCl in Supercritical Water

P. Rossky, K. Johnston, Gerald E. Bennett, 1996 .

Molecular Dynamics Simulation of Electrolyte Solutions in Ambient and Supercritical Water. 2. Relative Acidity of HCl

P. Rossky, K. Johnston, P. Balbuena, 1996 .

COMPUTER SIMULATION OF THE EXCITED STATE DYNAMICS OF BETAINE-30 IN ACETONITRILE

P. Rossky, J. Lobaugh, 1999 .

Evaluation of Reaction Free Energy Surfaces in Aqueous Solution: An Integral Equation Approach

P. Rossky, R. Chiles, 1984 .

Charge-Transfer-to-Solvent Spectra of an Aqueous Halide Revisited via Computer Simulation

P. Rossky, W. Sheu, Wen-Shyan Sheu, 1993 .

Electron Hydration Dynamics: Simulation Results Compared to Pump and Probe Experiments

P. Rossky, E. Keszei, Tim H. Murphrey, 1995 .

Aggregation of Charge Acceptors on Nanocrystal Surfaces Alters Rates of Photoinduced Electron Transfer.

P. Rossky, S. Roberts, B. Iverson, 2022, Journal of the American Chemical Society.

Structure and Dynamics of Water at Interfaces

P. Rossky, 1991 .

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

P. Rossky, G. Nyman, Kyle K G Smith, 2015, The Journal of chemical physics.

Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K.

P. Rossky, D. Manolopoulos, J. Poulsen, 2008, The journal of physical chemistry. B.

Protein denaturation by urea: Slash and bond

P. Rossky, 2008, Proceedings of the National Academy of Sciences.

Effect of surface polarity on water contact angle and interfacial hydration structure.

Pablo G Debenedetti, Peter J Rossky, P. Rossky, 2007, The journal of physical chemistry. B.

Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol

P. Rossky, P. Minary, L. Túri, 1999 .

Equilibrium structure, fluctuations, and spectroscopy of a solvated electron in methanol

P. Rossky, L. Túri, A. Mosyak, 1997 .

Isotope effects in aqueous solvation of simple halides.

P. Rossky, D. Laria, Pablo E. Videla, 2018, The Journal of chemical physics.

An extended rism equation for molecular polar fluids

Fumio Hirata, Peter J. Rossky, P. Rossky, 1981 .

Theoretical studies of spectroscopy and dynamics of hydrated electrons.

P. Rossky, L. Túri, 2012, Chemical reviews.

Chloride Ion Hydration and Diffusion in Supercritical Water Using a Polarizable Water Model

P. Rossky, R. Levy, N. Matubayasi, 2002 .

ELECTRONIC AND SOLVENT RELAXATION DYNAMICS OF A PHOTOEXCITED AQUEOUS HALIDE

P. Rossky, Wen-Shyan Sheu† and, 1996 .

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

P. Rossky, L. Mones, L. Túri, 2011, The Journal of chemical physics.

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

P. Rossky, L. Mones, L. Túri, 2010, The Journal of chemical physics.

Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations

Peter J Rossky, P. Rossky, W. Sheu, 2005, Science.

FROM MOLECULES TO MATERIALS : CURRENT TRENDS AND FUTURE DIRECTIONS

P. Rossky, P. Barbara, M. Klein, 1998 .

Distance and Orientation Dependence of Excitation Transfer Rates in Conjugated Systems: Beyond the Förster Theory

Peter J. Rossky, Biman Bagchi, P. Rossky, 2004 .

Dynamics of chemical processes in polar solvents

P. Rossky, J. Simon, 1994, Nature.

Hydration structure of the α-chymotrypsin substrate binding pocket: the impact of constrained geometry

P. Rossky, Yuen-Kit Cheng, C. Carey, 2000 .

Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.

Timothy S Zwier, Michel Dupuis, B. D. Kay, 2005, Chemical reviews.

Size dependence of transfer free energies. 1. A Flory-Huggins approach

P. Rossky, K. Sharp, B. Honig, 1995 .

Molecular Structure of the Water−Supercritical CO2 Interface

P. Rossky, K. Johnston, Sandro R. P. da Rocha and, 2001 .

Computational studies of pressure, temperature, and surface effects on the structure and thermodynamics of confined water.

P. Rossky, P. Debenedetti, N. Giovambattista, 2012, Annual review of physical chemistry.

Solvent and Intramolecular Effects on the Absorption Spectrum of Betaine-30

P. Rossky, J. Lobaugh, 2000 .

Dependence of electrochemical and electrogenerated chemiluminescence properties on the structure of BODIPY dyes. Unusually large separation between sequential electron transfers.

P. Rossky, A. Bard, A. Nepomnyashchii, 2010, Journal of the American Chemical Society.

Solvent Effects on Solute Electronic Structure and Properties: Theoretical Study of a Betaine Dye Molecule in Polar Solvents

P. Rossky, T. Ishida, 2001 .

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

P. Rossky, P. Debenedetti, R. Lynden-Bell, 2011, Physical chemistry chemical physics : PCCP.

Spin dependent properties of perturbed wave functions: An analytic comparison of the exact, UHF, and spin-projected UHF states

M. Karplus, P. Rossky, 1980 .

Solution Chemistry in Supercritical Water: Spectroscopy and Simulation

P. Rossky, K. Johnston, 2000 .

Non-monotonic dependence of water reorientation dynamics on surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength.

P. Rossky, P. Debenedetti, J. Hynes, 2011, Physical chemistry chemical physics : PCCP.

Free energies of association for the sodium-dimethyl phosphate ion pair in aqueous solution

P. Rossky, S. E. Huston, 1989 .

Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity

P. Rossky, P. Debenedetti, N. Giovambattista, 2007 .

Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates.

Pablo G Debenedetti, Peter J Rossky, P. Rossky, 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

Molecular origins of fluorocarbon hydrophobicity

Vishwanath H. Dalvi, P. Rossky, V. Dalvi, 2010, Proceedings of the National Academy of Sciences.

Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface.

P. Rossky, J. Hynes, D. Laage, 2010, Faraday discussions.

Influence of an antiviral compound on the temperature dependence of viral protein flexibility and packing: a molecular dynamics study.

P. Rossky, C. Post, D. K. Phelps, 1998, Journal of molecular biology.

A complete integral equation formulation in the interaction site formalism

P. Rossky, R. Chiles, 1984 .

A quantum mechanical study of structure in liquid H2O and D2O

R. A. Kuharski, P. Rossky, 1985 .

Excess electron relaxation dynamics at water/air interfaces.

P. Rossky, L. Túri, Á. Madarász, 2007, The Journal of chemical physics.

Molecular librations and solvent orientational correlations in hydrophobic phenomena

P. Rossky, D. Zichi, 1982 .

Modeling alkane+perfluoroalkane interactions using all-atom potentials: Failure of the usual combining rules

P. Rossky, M. Maroncelli, W. Song, 2003 .

A theoretical investigation of the shape and hydration properties of aqueous urea: Evidence for nonplanar urea geometry

P. Rossky, E. Castner, T. Ishida, 2004 .

Surface topography dependence of biomolecular hydrophobic hydration

Peter J. Rossky, P. Rossky, Yuen-Kit Cheng, 1998, Nature.

Collapse of stiff conjugated polymers with chemical defects into ordered, cylindrical conformations

P. Rossky, P. Barbara, B. Bagchi, 2000, Nature.

ordered, cylindrical conformations

P. Rossky, P. Barbara, B. Bagchi, 2000 .

Modeling simple amphiphilic solutes in a Jagla solvent.

P. Rossky, P. Debenedetti, S. Buldyrev, 2011, The Journal of chemical physics.

Electron localization in liquid water: A computer simulation study of microscopic trapping sites

P. Rossky, J. Schnitker, G. Kenney-Wallace, 1986 .

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

P. Rossky, L. Túri, Á. Madarász, 2009, The Journal of chemical physics.

Integral equation predictions of liquid state structure for waterlike intermolecular potentials

B. Montgomery Pettitt, Peter J. Rossky, P. Rossky, 1982 .

Stability of Ionic and Radical Molecular Dissociation Pathways for Reaction in Supercritical Water

P. Rossky, K. Johnston, R. Westacott, 2001 .

Continuum Electrostatics Model for an SN2 Reaction in Supercritical Water

P. Rossky, K. Johnston, Gerald E. Bennett, 1995 .

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

P. Rossky, H. Stanley, P. Debenedetti, 2012, The Journal of chemical physics.

Excess electron localization sites in neutral water clusters.

P. Rossky, L. Túri, Á. Madarász, 2006, The Journal of chemical physics.

The contribution of hydrogen bonding to the structure of liquid methanol

P. Rossky, B. Pettitt, 1983 .

A Coarse-Grained Protein Model in a Water-like Solvent

P. Rossky, H. Stanley, P. Debenedetti, 2013, Scientific Reports.

Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networks

Thomas C. Allen, Lena Simine, Thomas C Allen, 2020, Proceedings of the National Academy of Sciences.

Impact of backbone fluorination on nanoscale morphology and excitonic coupling in polythiophenes

P. Rossky, D. V. Vanden Bout, Zhongjian Hu, 2017, Proceedings of the National Academy of Sciences.

Mechanism for plasmon-generated solvated electrons

P. Rossky, J. Dionne, C. Landes, 2023, Proceedings of the National Academy of Sciences of the United States of America.

A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfolding.

F. Stillinger, P. Rossky, P. Debenedetti, 2007, Biophysical journal.

Low Interfacial Free Volume of Stubby Surfactants Stabilizes Water-in-Carbon Dioxide Microemulsions

P. Rossky, K. Johnston, S. Rocha, 2004 .

Ionic association in model 2–2 electrolyte solutions

B. L. Tembe, P. Rossky, H. Friedman, 1980 .

Interfacial Properties of Fluorocarbon and Hydrocarbon Phosphate Surfactants at the Water−CO2 Interface

Charles S. Johnson, P. Rossky, K. Johnston, 2005 .

The Ionic Environment of Rod-like Polyelectrolytes

P. Rossky, C. Murthy, R. Bacquet, 1990 .

Ionic atmosphere of rodlike polyelectrolytes. A hypernetted chain study

P. Rossky, R. Bacquet, 1984 .

Accurate solutions to integral equations describing weakly screened ionic systems

P. Rossky, H. Friedman, 1980 .

The interionic potential of mean force in a molecular polar solvent from an extended RISM equation

B. Montgomery Pettitt, Fumio Hirata, Peter J. Rossky, 1983 .

A simple atomic-level hydrophobicity scale reveals protein interfacial structure.

Peter J Rossky, P. Rossky, Lauren H Kapcha, 2014, Journal of molecular biology.

New Approaches to Solvent-Mediated Molecular Interactions

P. Rossky, B. Pettitt, 1986 .

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

P. Rossky, H. Stanley, P. Debenedetti, 2007, Proceedings of the National Academy of Sciences.

Electronic decoherence in condensed phases

P. Rossky, Hyonseok Hwang, D. M. Lockwood, 2001 .

Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics.

Adam P. Willard, Xiaoyang Zhu, Na Sai, 2013, Nature materials.

Practical evaluation of condensed phase quantum correlation functions: A Feynman–Kleinert variational linearized path integral method

P. Rossky, G. Nyman, J. Poulsen, 2003 .

Enhanced surface hydrophobicity by coupling of surface polarity and topography

P. Rossky, P. Debenedetti, N. Giovambattista, 2009, Proceedings of the National Academy of Sciences.

Dissipative mixed quantum-classical simulation of the aqueous solvated electron system

P. Rossky, Kim F. Wong, 2002 .

Resonance Raman Spectroscopy of the T1 Triplet Excited State of Oligothiophenes.

P. Rossky, M. Tauber, Chen Wang, 2015, The journal of physical chemistry letters.

Non-adiabatic quantum dynamics simulation using classical baths

P. Rossky, 1998 .

Machine-Learned Decision Trees for Predicting Gold Nanorod Sizes from Spectra

Logan D. C. Bishop, P. Rossky, Rashad Baiyasi, 2021, The Journal of Physical Chemistry C.

Path integral centroid molecular-dynamics evaluation of vibrational energy relaxation in condensed phase

P. Rossky, J. Poulsen, 2001 .

Quantum mechanical contributions to the structure of liquid water

R. A. Kuharski, P. Rossky, 1984 .

Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution

B. Montgomery Pettitt, Peter J. Rossky, P. Rossky, 1986 .

Benzene-benzene interaction in aqueous solution

P. Rossky, H. Friedman, 1980 .

Inconsistent dielectric behaviour of proposed hamiltonian models for ionic solutions

P. Rossky, 1983 .

A model for the simulation of an aqueous dipeptide solution

M. Karplus, P. Rossky, A. Rahman, 1979 .

Ion solvation in supercritical water based on an adsorption analogy

P. Rossky, K. Johnston, P. Balbuena, 1997 .

Aggregation behavior of rod-coil-rod triblock copolymers in a coil-selective solvent.

P. Rossky, V. Ganesan, D. V. Vanden Bout, 2015, The journal of physical chemistry. B.

A BAYESIAN FRAMEWORK FOR CALIBRATION AND UNCERTAINTY QUANTIFICATION OF COARSE-GRAINED ATOMISTIC MODELS

P. Rossky, Eric Wright, Peter Rossky, 2013 .

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

P. Rossky, D. Laria, Pablo E. Videla, 2013, The Journal of chemical physics.

Evaluation of quantum correlation functions from classical data: Anharmonic models.

P. Rossky, Hyojoon Kim, 2002, The Journal of chemical physics.

Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water.

Peter J Rossky, P. Rossky, G. Nyman, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Application of an extended RISM equation to dipolar and quadrupolar fluids

B. Montgomery Pettitt, Fumio Hirata, Peter J. Rossky, 1982 .

The coupling of long and short range correlations in ISM liquids

P. Rossky, B. Pettitt, G. Stell, 1983 .

Nonadiabatic simulations of exciton dissociation in poly-p-phenylenevinylene oligomers.

Fabio Sterpone, Peter J. Rossky, P. Rossky, 2010, The journal of physical chemistry. A.

Phase behavior of a lattice hydrophobic oligomer in explicit water.

F. Stillinger, P. Rossky, P. Debenedetti, 2012, The journal of physical chemistry. B.

Mechanistic elements of protein cold denaturation.

Richard K Darst, Peter J Rossky, P. Rossky, 2008, The journal of physical chemistry. B.

The role of solvent intramolecular modes in excess electron solvation dynamics

P. Rossky, Tim H. Murphrey, 1993 .

Electronic Decoherence Induced by Intramolecular Vibrational Motions in a Betaine Dye Molecule

P. Rossky, Hyonseok Hwang, 2004 .

RELATIONSHIP BETWEEN QUANTUM DECOHERENCE TIMES AND SOLVATION DYNAMICS IN CONDENSED PHASE CHEMICAL SYSTEMS

P. Rossky, O. Prezhdo, 1998, quant-ph/9804004.

Solvent-induced electronic decoherence: Configuration dependent dissipative evolution for solvated electron systems

P. Rossky, Kim F. Wong, 2002 .

Hydration and energetics for tert-butyl chloride ion pairs in aqueous solution

William L. Jorgensen, Peter J. Rossky, P. Rossky, 1987 .

Electronic decoherence for electron transfer in blue copper proteins

P. Rossky, Yuen-Kit Cheng, D. M. Lockwood, 2001 .

Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution.

P. Rossky, L. Túri, 2004, The Journal of chemical physics.

Non-linear response and hydrogen bond dynamics for electron solvation in methanol

Peter J. Rossky, Peter Minary, P. Rossky, 2000 .

Quantum decoherence: a consistent histories treatment of condensed-phase non-adiabatic quantum molecular dynamics

P. Rossky, B. Schwartz, E. Bittner, 1997 .

Quantum simulation of ultrafast spectroscopy

P. Rossky, 1990 .

Quantum Effects in Hydrogen Bonded Liquids

Peter J. Rossky, P. Rossky, 1991 .

A quantum molecular dynamics study of aqueous solvation dynamics.

P. Rossky, D. Laria, Pablo E. Videla, 2013, The Journal of chemical physics.

Isotopic Preferential Solvation of I(-) in Low-Temperature Water Nanoclusters.

P. Rossky, D. Laria, Pablo E. Videla, 2015, The journal of physical chemistry. B.

A novel semi-empirical potential for covalently bonded materials

P. Rossky, L. Corrales, 1992 .

Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4).

P. Rossky, G. Nyman, J. Poulsen, 2006, Journal of chemical theory and computation.

Quantum diffusion in liquid para-hydrogen: An application of the Feynman-Kleinert linearized path integral approximation

P. Rossky, G. Nyman, J. Poulsen, 2004 .

Computational and Theoretical Chemistry

P. Rossky, E. Carter, 2006 .

A Hybrid Continuum-Molecular Analysis of Interfacial Force Microscope Experiments on a Self-Assembled Monolayer

P. Rossky, Mingji Wang, J. White, 2006 .

Model perturbation theoretic calculations with finite continuum basis sets

M. Karplus, P. Rossky, 1977 .

Phase transitions induced by nanoconfinement in liquid water.

Pablo G Debenedetti, Peter J Rossky, P. Rossky, 2009, Physical review letters.

Imaging Heterogeneous 3D Dynamics of Individual Solutes in a Polyelectrolyte Brush.

P. Rossky, J. Conrad, C. Landes, 2023, Langmuir.

Single-Molecule Dynamics Reflect IgG Conformational Changes Associated with Ion-Exchange Chromatography.

Nicholas A Moringo, Logan D. C. Bishop, P. Rossky, 2021, Analytical chemistry.

A THREE-DIMENSIONAL REDUCTION OF THE ORNSTEIN-ZERNICKE EQUATION FOR MOLECULAR LIQUIDS

P. Rossky, R. Friesner, C. Cortis, 1997 .

Molecular conformational equilibria in liquids

P. Rossky, D. Zichi, 1986 .

Molecular Differences between Hydrocarbon and Fluorocarbon Surfactants at the CO2/Water Interface

P. Rossky, K. Johnston, S. Rocha, 2003 .

A realization of ‘‘V structure’’ in liquid water

P. Rossky, F. Hirata, 1981 .

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

F. Stillinger, P. Rossky, P. Debenedetti, 2008, The Journal of chemical physics.

Evaporation Length Scales of Confined Water and Some Common Organic Liquids

P. Rossky, P. Debenedetti, C. A. Cerdeiriña, 2011 .

Constructing quantum dynamics from mixed quantum-classical descriptions

P. Rossky, V. Barsegov, 2004 .

ARTICLES An analysis of electronic dephasing in the spin-boson model

P. Rossky, Hyonseok Hwang, 2004 .

Generalized perturbed Hartree–Fock theory

M. Karplus, P. Rossky, 1980 .

Fluorescent Proteins Detect Host Structural Rearrangements via Electrostatic Mechanism.

P. Rossky, J. Onuchic, H. Lammert, 2018, Journal of the American Chemical Society.

Effect of the side-chain-distribution density on the single-conjugated-polymer-chain conformation.

Robert J. Ono, P. Rossky, V. Ganesan, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Solvent molecular dynamics in regions of hydrophobic hydration

P. Rossky, D. Zichi, 1986 .

Consequences of strong coupling between solvation and electronic structure in the excited state of a betaine dye.

P. Rossky, T. Ishida, 2008, The journal of physical chemistry. B.

Dramatic vapor-phase modulation of the characteristics of graphene field-effect transistors.

P. Rossky, D. Akinwande, A. Dodabalapur, 2015, Physical chemistry chemical physics : PCCP.

Understanding the Relative Effectiveness of Alkanethiol Ligands in Dispersing Nanoparticles in Supercritical Carbon Dioxide and Ethane

P. Rossky, V. Dalvi, V. Srinivasan, 2010 .

SOLVATION OF SPECIES OF VARYING POLARITY IN SUPERCRITICAL WATER: A COMPUTER SIMULATION STUDY

P. Rossky, K. Johnston, P. Balbuena, 2023, Proceeding of Physical Chemistry of Aqueous Systems: Meeting the Needs of Industry.

Hydration effects on SN2 reactions: an integral equation study of free energy surfaces and corrections to transition-state theory

P. Rossky, D. Zichi, S. E. Huston, 1989 .

Predicting cavity formation free energy: how far is the Gaussian approximation valid?

P. Rossky, J. Dowdle, R. Lynden-Bell, 2012, Physical chemistry chemical physics : PCCP.

Harmonic Model Description of the Franck−Condon Density for a Betaine Dye Molecule

P. Rossky, Hyonseok Hwang, 2004 .

Size Dependence of Transfer Free Energies. 2. Hard Sphere Models

P. Rossky, K. Sharp, B. Honig, 1996 .

Sub-Bandgap Photoinduced Transient Absorption Features in CdSe Nanostructures: The Role of Trapped Holes

P. Rossky, E. Rabani, A. Alivisatos, 2020, The Journal of Physical Chemistry C.

Role of hydrophobic hydration in protein stability: a 3D water-explicit protein model exhibiting cold and heat denaturation.

P. Rossky, P. Debenedetti, S. Matysiak, 2012, The journal of physical chemistry. B.

Dissecting the energetics of hydrophobic hydration of polypeptides.

P. Rossky, P. Debenedetti, S. Matysiak, 2011, The journal of physical chemistry. B.

Solvent isotope effects on the thermodynamics of hydrophobic hydration

P. Rossky, D. Zichi, 1986 .

FROM MOLECULES TO MATERIALS : CURRENT TRENDS AND FUTURE DIRECTIONS

P. Rossky, S. Stupp, Jack C. Chang, 1998 .

Quantum simulations of aqueous systems

R. A. Kuharski, P. Rossky, J. Schnitker, 1986 .

Ionic distributions near polyelectrolytes. A comparison of theoretical approaches

Peter J. Rossky, Russell J. Bacquet, P. Rossky, 1985 .

Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase.

P. Rossky, F. Sterpone, 2008, The journal of physical chemistry. B.

Theoretical studies of spectroscopy and dynamics of hydrated electrons.

P. Rossky, L. Túri, 2012, Chemical reviews.

Effects of long-range interactions on the dynamics of ions in aqueous solution

Terry S. Cohen, Peter J. Rossky, P. Rossky, 1994 .

Extracting rates of vibrational energy relaxation from centroid molecular dynamics

P. Rossky, S. Keiding, J. Poulsen, 2001 .

Isotope effects in aqueous solvation of simple halides.

P. Rossky, D. Laria, Pablo E. Videla, 2018, The Journal of chemical physics.

SOLVATION OF A DIPEPTIDE BY WATER *

M. Karplus, P. Rossky, 1981 .

Corrections to the HNC equation for associating electrolytes

P. Rossky, R. Bacquet, 1983 .

Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution.

P. Rossky, L. Túri, 2004, The Journal of chemical physics.

Ultrafast reaction dynamics and solvent effects, Royaumont, France 1993

Peter J. Rossky, Yann Gauduel, P. Rossky, 1994 .

Response to Comment on "Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations"

P. Rossky, L. Túri, Wen-Shyan Sheu, 2005, Science.

Response of observables for cold anionic water clusters to cluster thermal history.

P. Rossky, L. Túri, Á. Madarász, 2010, The journal of physical chemistry. A.

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

P. Rossky, L. Túri, Á. Madarász, 2009, The Journal of chemical physics.

Structural Disorder at the Edges of Rubrene Crystals Enhances Singlet Fission.

P. Rossky, M. Zanni, R. Frontiera, 2023, The journal of physical chemistry letters.

Dependence of electrochemical and electrogenerated chemiluminescence properties on the structure of BODIPY dyes. Unusually large separation between sequential electron transfers.

P. Rossky, A. Bard, A. Nepomnyashchii, 2010, Journal of the American Chemical Society.

Immunology and inflammation

D. Donoho, P. Hanawalt, M. Gazzaniga, 1996 .

On the correlation between like ion pairs in water

P. Rossky, B. Pettitt, L. Dang, 1992 .

A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra.

P. Rossky, Jakub K. Sowa, 2024, Journal of chemical theory and computation.