Rossky, Peter J

Publication with MATCHING institution:

Misiura A, Shen H, Tauzin L, ..., Landes CF (2021) Single-Molecule Dynamics Reflect IgG Conformational Changes
Associated with Ion-Exchange Chromatography. Analytical Chemistry. [IF=1.41, Cited=2, 34346671].
Videla PE, Rossky PJ, Laria D (2015) Isotopic Preferential Solvation of I(-) in Low-Temperature Water Nanoclusters.
Journal of Physical Chemistry B. [IF=0.893, Cited=1, 26268346].
Sowa JK, Roberts ST, Rossky PJ (2023) Exploring Configurations of Nanocrystal Ligands Using Machine-Learned Force
Fields. Journal of Physical Chemistry Letters. [IF=1.158, Cited=0, 37552568].
Volek TS, Armstrong ZT, Sowa JK, ..., Roberts ST (2023) Structural Disorder at the Edges of Rubrene Crystals Enhances
Singlet Fission. Journal of Physical Chemistry Letters. [IF=1.158, Cited=1, 38088867].
Wang C, Angelella M, Doyle SJ, ..., Tauber MJ (2015) Resonance Raman Spectroscopy of the T1 Triplet Excited State of
Oligothiophenes. Journal of Physical Chemistry Letters. [IF=1.158, Cited=1, 26291623].
Simine L, Rossky PJ (2017) Relating Chromophoric and Structural Disorder in Conjugated Polymers. Journal of Physical
Chemistry Letters. [IF=1.158, Cited=9, 28350467].
Borgis D, Rossky PJ, Turi L (2017) Electronic Excited State Lifetimes of Anionic Water Clusters: Dependence on Charge
Solvation Motif. Journal of Physical Chemistry Letters. [IF=1.158, Cited=9, 28475840].
Fan D, Bajgiran SR, Samghabadi FS, ..., Landes CF (2023) Imaging Heterogeneous 3D Dynamics of Individual Solutes in a
Polyelectrolyte Brush. Langmuir. [IF=0.927, Cited=1, 37290000].
Boralkar TT, Bapat DU, Dalvi VH, Rossky PJ (2024) A Molecular Expression for "Line Tension". Langmuir. [IF=0.927,
Cited=0, 38699991].
Cadena DM, Sowa JK, Cotton DE, ..., Roberts ST (2022) Aggregation of Charge Acceptors on Nanocrystal Surfaces Alters
Rates of Photoinduced Electron Transfer. Journal of the American Chemical Society. [IF=2.573, Cited=2, 36450151].
Simine L, Lammert H, Sun L, ..., Rossky PJ (2018) Fluorescent Proteins Detect Host Structural Rearrangements via
Electrostatic Mechanism. Journal of the American Chemical Society. [IF=2.573, Cited=3, 29328673].
Omar AK, Hanson B, Haws RT, ..., Ganesan V (2014) Aggregation behavior of rod-coil-rod triblock copolymers in a coil-
selective solvent. Journal of Physical Chemistry B. [IF=0.893, Cited=4, 25513935].
Worley BC, Kim S, Park S, ..., Dodabalapur A (2015) Dramatic vapor-phase modulation of the characteristics of graphene
field-effect transistors. Physical Chemistry Chemical Physics. [IF=0.906, Cited=2, 26107384].
Sowa JK, Allen TC, Rossky PJ (2023) Accumulation and ordering of P3HT oligomers at the liquid-vapor interface with
implications for thin-film morphology. Physical Chemistry Chemical Physics. [IF=0.906, Cited=1, 37493614].
Smith KKG, Poulsen JA, Nyman G, Rossky PJ (2015) A new class of ensemble conserving algorithms for approximate quantum
dynamics: Theoretical formulation and model problems. Journal of Chemical Physics. [IF=1.184, Cited=8, 26133415].
Smith KKG, Poulsen JA, Nyman G, ..., Rossky PJ (2015) Application of a new ensemble conserving quantum dynamics
simulation algorithm to liquid para-hydrogen and ortho-deuterium. Journal of Chemical Physics. [IF=1.184, Cited=7, 26133416].
Videla PE, Rossky PJ, Laria D (2016) Communication: Isotopic effects on tunneling motions in the water trimer. Journal
of Chemical Physics. [IF=1.184, Cited=2, 26874474].
Videla PE, Rossky PJ, Laria D (2018) Isotope effects in aqueous solvation of simple halides. Journal of Chemical
Physics. [IF=1.184, Cited=1, 29544283].
Videla PE, Rossky PJ, Laria D (2018) Isotopic equilibria in aqueous clusters at low temperatures: Insights from the MB-
pol many-body potential. Journal of Chemical Physics. [IF=1.184, Cited=1, 29495769].
Hu Z, Haws RT, Fei Z, ..., Vanden Bout DA (2017) Impact of backbone fluorination on nanoscale morphology and excitonic
coupling in polythiophenes. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765,
Cited=7, 28465439].
Raithel D, Simine L, Pickel S, ..., Hildner R (2018) Direct observation of backbone planarization via side-chain
alignment in single bulky-substituted polythiophenes. Proceedings of the National Academy of Sciences of the United
States of America. [IF=2.765, Cited=7, 29483262].
Simine L, Allen TC, Rossky PJ (2020) Predicting optical spectra for optoelectronic polymers using coarse-grained models
and recurrent neural networks. Proceedings of the National Academy of Sciences of the United States of America.
[IF=2.765, Cited=6, 32513725].
Al-Zubeidi A, Ostovar B, Carlin CC, ..., Link S (2023) Mechanism for plasmon-generated solvated electrons. Proceedings
of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 36626548].

Publication with MISMATCHING institution:

Kapcha LH, Rossky PJ (2013) A simple atomic-level hydrophobicity scale reveals protein interfacial structure. Journal of
Molecular Biology. [IF=1.281, Cited=50, 24120937].
Ha TJ, Ha T, Lee J, ..., Dodabalapur A (2012) Transformation of the electrical characteristics of graphene field-effect
transistors with fluoropolymer. ACS applied materials & interfaces. [IF=1.429, Cited=5, 23252452].
Garrett BC, Dixon DA, Camaioni DM, ..., Zwier TS (2005) Role of water in electron-initiated processes and radical
chemistry: issues and scientific advances. Chemical Reviews. [IF=11.712, Cited=160, 15720157].
Turi L, Rossky PJ (2012) Theoretical studies of spectroscopy and dynamics of hydrated electrons. Chemical Reviews.
[IF=11.712, Cited=52, 22954423].
Poulsen JA, Nyman G, Rossky PJ (2006) Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum
Molecular Dynamics, with Application to Water and He(4). Journal of Chemical Theory and Computation. [IF=1.512,
Cited=24, 26627018].
Westacott RE, Johnston KP, Rossky PJ (2001) Simulation of an S(N)1 reaction in supercritical water. Journal of the
American Chemical Society. [IF=2.573, Cited=1, 11456648].
Nepomnyashchii AB, Cho S, Rossky PJ, Bard AJ (2010) Dependence of electrochemical and electrogenerated chemiluminescence
properties on the structure of BODIPY dyes. Unusually large separation between sequential electron transfers. Journal of
the American Chemical Society. [IF=2.573, Cited=19, 21090724].
Hu Z, Adachi T, Haws R, ..., Vanden Bout DA (2014) Excitonic energy migration in conjugated polymers: the critical role
of interchain morphology. Journal of the American Chemical Society. [IF=2.573, Cited=9, 25268474].
Kim H, Hwang H, Rossky PJ (2006) Quantum simulation of solution phase intramolecular electron transfer rates in
betaine-30. Journal of Physical Chemistry A. [IF=0.841, Cited=5, 17004730].
Hone TD, Poulsen JA, Rossky PJ, Manolopoulos DE (2007) Comparison of approximate quantum simulation methods applied to
normal liquid helium at 4 K. Journal of Physical Chemistry B. [IF=0.893, Cited=13, 18027920].
Lopez CF, Darst RK, Rossky PJ (2008) Mechanistic elements of protein cold denaturation. Journal of Physical Chemistry B.
[IF=0.893, Cited=47, 18181599].
Sterpone F, Rossky PJ (2008) Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state
chain dynamics of PPV in the gas phase. Journal of Physical Chemistry B. [IF=0.893, Cited=12, 18380505].
Ishida T, Rossky PJ (2008) Consequences of strong coupling between solvation and electronic structure in the excited
state of a betaine dye. Journal of Physical Chemistry B. [IF=0.893, Cited=5, 18707072].
Sterpone F, Bedard-Hearn MJ, Rossky PJ (2009) Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked
oligophenylenevinylenes. Journal of Physical Chemistry A. [IF=0.841, Cited=7, 19317436].
Madarász A, Rossky PJ, Turi L (2010) Response of observables for cold anionic water clusters to cluster thermal history.
Journal of Physical Chemistry A. [IF=0.841, Cited=11, 20099860].
Videla PE, Rossky PJ, Laria D (2014) Surface Isotope Segregation as a Probe of Temperature in Water Nanoclusters.
Journal of Physical Chemistry Letters. [IF=1.158, Cited=4, 26279562].
Rossky PJ, Simon JD (1994) Dynamics of chemical processes in polar solvents. Nature. [IF=11.591, Cited=30, 8035874].
Hu Z, Willard AP, Ono RJ, ..., Vanden Bout DA (2015) An insight into non-emissive excited states in conjugated polymers.
Nature Communications. [IF=3.268, Cited=11, 26391514].
Rossky PJ (2010) Exploring nanoscale hydrophobic hydration. None. [IF=None, Cited=15, 21043410].
Turi L, Rossky PJ (2004) Critical evaluation of approximate quantum decoherence rates for an electronic transition in
methanol solution. Journal of Chemical Physics. [IF=1.184, Cited=19, 15268531].
Hwang H, Rossky PJ (2004) An analysis of electronic dephasing in the spin-boson model. Journal of Chemical Physics.
[IF=1.184, Cited=10, 15268171].
Hone TD, Rossky PJ, Voth GA (2006) A comparative study of imaginary time path integral based methods for quantum
dynamics. Journal of Chemical Physics. [IF=1.184, Cited=62, 16674214].
Turi L, Madarász A, Rossky PJ (2006) Excess electron localization sites in neutral water clusters. Journal of Chemical
Physics. [IF=1.184, Cited=20, 16863299].
Kim H, Rossky PJ (2006) Quantum corrections to classical evaluation of nonadiabatic transition rates. Journal of
Chemical Physics. [IF=1.184, Cited=1, 16942315].
Borgis D, Rossky PJ, Turi L (2006) Quantized time correlation function approach to nonadiabatic decay rates in condensed
phase: application to solvated electrons in water and methanol. Journal of Chemical Physics. [IF=1.184, Cited=16, 16942292].
Kim H, Rossky PJ (2006) Evaluation of quantum correlation functions from classical data: Anharmonic models. Journal of
Chemical Physics. [IF=1.184, Cited=6, 16942322].
Madarász A, Rossky PJ, Turi L (2007) Excess electron relaxation dynamics at water/air interfaces. Journal of Chemical
Physics. [IF=1.184, Cited=18, 17600435].
Borgis D, Rossky PJ, Turi L (2007) Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated
electron. Journal of Chemical Physics. [IF=1.184, Cited=12, 17994828].
Madarász A, Rossky PJ, Turi L (2009) Interior- and surface-bound excess electron states in large water cluster anions.
Journal of Chemical Physics. [IF=1.184, Cited=18, 19334842].
Turi L, Hantal G, Rossky PJ, Borgis D (2009) Nuclear quantum effects in electronically adiabatic quantum time
correlation functions: application to the absorption spectrum of a hydrated electron. Journal of Chemical Physics.
[IF=1.184, Cited=13, 19603982].
Mones L, Rossky PJ, Turi L (2010) Analysis of localization sites for an excess electron in neutral methanol clusters
using approximate pseudopotential quantum-mechanical calculations. Journal of Chemical Physics. [IF=1.184, Cited=5, 20950020].
Mones L, Rossky PJ, Turi L (2011) Quantum-classical simulation of electron localization in negatively charged methanol
clusters. Journal of Chemical Physics. [IF=1.184, Cited=4, 21895193].
Videla PE, Rossky PJ, Laria D (2013) A quantum molecular dynamics study of aqueous solvation dynamics. Journal of
Chemical Physics. [IF=1.184, Cited=3, 24182048].
Videla PE, Rossky PJ, Laria D (2013) Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low
temperatures. Journal of Chemical Physics. [IF=1.184, Cited=5, 24206306].
Smith KKG, Poulsen JA, Cunsolo A, Rossky PJ (2014) Refinement of the experimental dynamic structure factor for liquid
para-hydrogen and ortho-deuterium using semi-classical quantum simulation. Journal of Chemical Physics. [IF=1.184,
Cited=3, 25669394].
Poulsen JA, Nyman G, Rossky PJ (2005) Static and dynamic quantum effects in molecular liquids: a linearized path
integral description of water. Proceedings of the National Academy of Sciences of the United States of America.
[IF=2.765, Cited=51, 15860585].
Rossky PJ (2008) Protein denaturation by urea: slash and bond. Proceedings of the National Academy of Sciences of the
United States of America. [IF=2.765, Cited=50, 18974225].
Dalvi VH, Rossky PJ (2010) Molecular origins of fluorocarbon hydrophobicity. Proceedings of the National Academy of
Sciences of the United States of America. [IF=2.765, Cited=66, 20643968].
Turi L, Sheu WS, Rossky PJ (2005) Characterization of excess electrons in water-cluster anions by quantum simulations.
Science. [IF=7.729, Cited=86, 16081731].
Rossky PJ, Walker GC (2010) Retrospective. Paul F. Barbara (1953-2010). Science. [IF=7.729, Cited=1, 21109661].
Giovambattista N, Rossky PJ, Rossky PJ, ..., Debenedetti PG (2012) Computational studies of pressure, temperature, and
surface effects on the structure and thermodynamics of confined water. Annual Review of Physical Chemistry. [IF=3.733,
Cited=37, 22475337].

Publication with MISSING institution:

Cheng YK, Rossky PJ (1999) The effect of vicinal polar and charged groups on hydrophobic hydration. Biopolymers.
[IF=0.522, Cited=11, 10547529].
Hu Z, Adachi T, Lee YG, ..., Vanden Bout DA (2013) Effect of the side-chain-distribution density on the single-
conjugated-polymer-chain conformation. ChemPhysChem. [IF=0.755, Cited=10, 24243782].
Phelps DK, Rossky PJ, Post CB (1998) Influence of an antiviral compound on the temperature dependence of viral protein
flexibility and packing: a molecular dynamics study. Journal of Molecular Biology. [IF=1.281, Cited=22, 9512706].
Cheng YK, Sheu WS, Rossky PJ (1999) Hydrophobic hydration of amphipathic peptides. Biophysical Journal. [IF=0.842,
Cited=13, 10096874].
Rossky PJ (2020) An Autobiographical History of Peter J. Rossky. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 33233899].
Pizzitutti F, Marchi M, Sterpone F, Rossky PJ (2007) How protein surfaces induce anomalous dynamics of hydration water.
Journal of Physical Chemistry B. [IF=0.893, Cited=89, 17564431].
Bedard-Hearn MJ, Sterpone F, Rossky PJ (2010) Nonadiabatic simulations of exciton dissociation in poly-p-
phenylenevinylene oligomers. Journal of Physical Chemistry A. [IF=0.841, Cited=16, 20597491].
Cheng YK, Rossky PJ (1998) Surface topography dependence of biomolecular hydrophobic hydration. Nature. [IF=11.591,
Cited=169, 9565030].
Rossky PJ (2001) Physical chemistry. Molecules at the edge. Nature. [IF=11.591, Cited=1, 11287936].
Rossky PJ (2002) Chemistry: only skin-deep. Nature. [IF=11.591, Cited=3, 12410293].
Jailaubekov AE, Willard AP, Tritsch JR, ..., Zhu XY (2012) Hot charge-transfer excitons set the time limit for charge
separation at donor/acceptor interfaces in organic photovoltaics. Nature Materials. [IF=6.645, Cited=134, 23223125].
Stirnemann G, Rossky PJ, Hynes JT, Laage D (2010) Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy
next to an extended hydrophobic surface. None. [IF=None, Cited=36, 21043427].
Lynden-Bell RM, Giovambattista N, Debenedetti PG, ..., Rossky PJ (2010) Hydrogen bond strength and network structure
effects on hydration of non-polar molecules. Physical Chemistry Chemical Physics. [IF=0.906, Cited=10, 21152590].
Head-Gordon T, Lynden-Bell RM, Dowdle JR, Rossky PJ (2012) Predicting cavity formation free energy: how far is the
Gaussian approximation valid? Physical Chemistry Chemical Physics. [IF=0.906, Cited=2, 22495173].
Wei CYJ, Kim YH, Darst RK, ..., Vanden Bout DA (2005) Origins of nonexponential decay in single molecule measurements of
rotational dynamics. Physical Review Letters. [IF=2.288, Cited=28, 16383825].
Rossky PJ (1986) Hydrophobic and ionic hydration phenomena. Annals of the New York Academy of Sciences. [IF=1.878,
Cited=1, 3471101].