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Peter J. Rossky
Researcher at Rice University
Publications - 285
Citations - 22396
Peter J. Rossky is an academic researcher from Rice University. The author has contributed to research in topics: Solvation & Excited state. The author has an hindex of 74, co-authored 280 publications receiving 21183 citations. Previous affiliations of Peter J. Rossky include Fu Jen Catholic University & University of Texas at Austin.
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Book ChapterDOI
Quantum Effects in Hydrogen Bonded Liquids
TL;DR: In this paper, the authors applied discrete path integral simulation methods to the determination of aspects of the structure and spectroscopy in two quantum mechanical aqueous systems, and the results provided a quantitative estimate of the significance of approximating such a system as classical and also of the size of isotope effects on the liquid structure.
Journal ArticleDOI
Phase Behavior of a Lattice Hydrophobic Oligomer in Explicit Water
Santiago Romero-Vargas Castrillón,Silvina Matysiak,Frank H. Stillinger,Peter J. Rossky,Pablo G. Debenedetti +4 more
TL;DR: It is shown that over a range of conditions spanning a ≈14% increase in solvent density, the oligomer transforms into a compact, strongly water-penetrated conformation at low temperature, contrasts with thermal unfolding at high temperature, where the system "denatures" into an extended random coil conformation.
Journal ArticleDOI
Predicting cavity formation free energy: how far is the Gaussian approximation valid?
TL;DR: Water appears to be a unique molecular fluid in possessing equilibrium density fluctuations that are faithfully described by the Gaussian theory, and this success is ascribed to the fact that the orientational correlations near a small hard sphere solute involve remarkably little reorganization from the bulk.