D
David E. Manolopoulos
Researcher at University of Oxford
Publications - 197
Citations - 17458
David E. Manolopoulos is an academic researcher from University of Oxford. The author has contributed to research in topics: Path integral formulation & Potential energy surface. The author has an hindex of 68, co-authored 193 publications receiving 15866 citations. Previous affiliations of David E. Manolopoulos include St Patrick's College, Maynooth & Dresden University of Technology.
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Vibrational strong coupling in liquid water from cavity molecular dynamics.
TL;DR: In this article , the authors assess the cavity molecular dynamics method for the calculation of vibrational polariton spectra using liquid water as a specific example, and show that their simulated cavity spectra can be reproduced to graphical accuracy with a harmonic model that uses just the cavity-free spectrum and the geometry of the cavity as input.
Journal ArticleDOI
2021 JCP Emerging Investigator Special Collection.
Michele Ceriotti,Lasse Jensen,David E. Manolopoulos,Todd Martinez,David R. Reichman,Francesco Sciortino,C. David Sherrill,Q. Shi,Carlos Vega,Lai-Sheng Wang,Emily A. Weiss,Xiaoyang Zhu,Jenny Stein,Tianquan Lian +13 more
TL;DR: In this article , the authors present a survey of the state of the art in bioinformatics and biomedicine research, including the following papers: http://www.firstpage