Peter J. Rossky

Rice University — United States

Physics and Astronomy · Physical Sciences

80h-index25.2kcitations327works2.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(209), Advanced Chemical Physics Studies(87), Photochemistry and Electron Transfer Studies(64), Quantum, superfluid, helium dynamics(61), Thermodynamic properties of mixtures(31)

Publications327 total

The Curious Case of Dual Emission in 9,10-Bis(phenylethynyl)anthracene
2026Open Access
A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra
Journal of Chemical Theory and Computation·2024· 3 cited
A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra
arXiv (Cornell University)·2024Open Access
IR Spectroscopy of Carboxylate-Passivated Semiconducting Nanocrystals: Simulation and Experiment
The Journal of Physical Chemistry C·2024· 7 citedOpen Access
A Molecular Expression for “Line Tension”
Langmuir·2024
Structural Disorder at the Edges of Rubrene Crystals Enhances Singlet Fission
The Journal of Physical Chemistry Letters·2023· 22 cited
Exploring Configurations of Nanocrystal Ligands Using Machine-Learned Force Fields
The Journal of Physical Chemistry Letters·2023· 6 cited
Imaging Heterogeneous 3D Dynamics of Individual Solutes in a Polyelectrolyte Brush
Langmuir·2023· 7 cited
Mechanism for plasmon-generated solvated electrons
Proceedings of the National Academy of Sciences·2023· 33 citedOpen Access
SOLVATION OF SPECIES OF VARYING POLARITY IN SUPERCRITICAL WATER: A COMPUTER SIMULATION STUDY
2023
Accumulation and ordering of P3HT oligomers at the liquid–vapor interface with implications for thin-film morphology
Physical Chemistry Chemical Physics·2023· 1 cited
Aggregation of Charge Acceptors on Nanocrystal Surfaces Alters Rates of Photoinduced Electron Transfer
Journal of the American Chemical Society·2022· 25 cited
The Age of Direct Chemical Dynamics
Accounts of Chemical Research·2022· 2 cited
Machine-Learned Decision Trees for Predicting Gold Nanorod Sizes from Spectra
The Journal of Physical Chemistry C·2021· 40 cited
Single-Molecule Dynamics Reflect IgG Conformational Changes Associated with Ion-Exchange Chromatography
Analytical Chemistry·2021· 14 cited
An Autobiographical History of Peter J. Rossky
The Journal of Physical Chemistry B·2020Open Access
Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networks
Proceedings of the National Academy of Sciences·2020· 50 citedOpen Access
Prediction of optical spectra of coarse-grained polymers as a sequence generation problem: the Recurrent Neural Networks solution
arXiv (Cornell University)·2019Open Access
Device Chemistry of Graphene Transistors
arXiv (Cornell University)·2019Open Access
Multiscale Modeling of Organic Photovoltaics
APS March Meeting Abstracts·2019
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Frequent Co-authors

Nicolás Giovambattista(7), Pablo G. Debenedetti(7), Jürgen Schnitker(5), B. Montgomery Pettitt(4), Richard A. Friesner(4), Oleg V. Prezhdo(4), Paul F. Barbara(3), Fumio Hirata(3), Frank Webster(3), J. Andrew McCammon(2), David A. Dixon(2), Kim F. Wong(2), Biman Bagchi(2), Eric R. Bittner(2), Benjamin J. Schwartz(2), Robert A. Kuharski(2), László Túri(2), Chyuan-Yih Lee(1), Askat E. Jailaubekov(1), Adam P. Willard(1)