P
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.
Papers
More filters
Journal ArticleDOI
Solvation. a molecular dynamics study of a dipeptide in water
Peter J. Rossky,Martin Karplus +1 more
Journal ArticleDOI
Erratum: Enhanced surface hydrophobicity by coupling of surface polarity and topography (Proceedings of the National Academy of Sciences of the United States of America (2009) 106 (15181-15185) DOI: 10.1073/pnas.0905468106)
Posted Content
Prediction of optical spectra of coarse-grained polymers as a sequence generation problem: the Recurrent Neural Networks solution
TL;DR: This model is based on a generative deep learning model: the long-short-term memory recurrent neural network (LSTM-RNN) and it is suggested by the apparent similarity between natural languages and the mathematical structure of the perturbative expansions of the excited state energies due to small fluctuations of the polymer conformation to present a novel tool uniquely suited for improving the back-mapping protocols.
Journal ArticleDOI
Thermal stability of hydrophobic helical oligomers: a lattice simulation study in explicit water.
Santiago Romero-Vargas Castrillón,Silvina Matysiak,Frank H. Stillinger,Peter J. Rossky,Pablo G. Debenedetti +4 more
TL;DR: This work investigates the thermal stability of helical hydrophobic oligomers using a three-dimensional, water-explicit lattice model and the Wang-Landau Monte Carlo method, and finds that conformational transitions are largely suppressed within the range of temperatures investigated.
Book ChapterDOI
Simulation of Electronic Spectroscopy and Relaxation in Aqueous Solution
TL;DR: In this article, the authors describe some of the recent theoretical approaches to the analysis of electronic spectroscopy and relaxation dynamics in solution, and outline some results obtained for the experimentally probed cases of energetic excess electrons in liquid water and for an aqueous halide ion.