J
Jeremy O. Richardson
Researcher at ETH Zurich
Publications - 95
Citations - 3123
Jeremy O. Richardson is an academic researcher from ETH Zurich. The author has contributed to research in topics: Instanton & Semiclassical physics. The author has an hindex of 28, co-authored 79 publications receiving 2216 citations. Previous affiliations of Jeremy O. Richardson include University of Cambridge & Durham University.
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Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.
TL;DR: It is demonstrated that the ring-polymer molecular dynamics (RPMD) method is equivalent to an automated and approximate implementation of the "Im F" version of semiclassical instanton theory when used to calculate reaction rates in the deep-tunneling regime.
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Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
Jeremy O. Richardson,Jeremy O. Richardson,Cristobal Perez,Simon Lobsiger,Adam A. Reid,Berhane Temelso,George C. Shields,Zbigniew Kisiel,David J. Wales,Brooks H. Pate,Stuart C. Althorpe +10 more
TL;DR: Measurements of splitting patterns in rotational transitions of the water hexamer prism are reported, and quantum simulations are used to show that they result from geared and antigeared rotations of a pair of water molecules.
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i-PI 2.0: A universal force engine for advanced molecular simulations
Venkat Kapil,Mariana Rossi,Ondrej Marsalek,Ondrej Marsalek,Riccardo Petraglia,Yair Litman,Thomas Spura,Bingqing Cheng,Alice Cuzzocrea,Robert H. Meißner,David M. Wilkins,Benjamin A. Helfrecht,Przemysław Juda,Sébastien P. Bienvenue,Wei Fang,Jan Kessler,Igor Poltavsky,Steven Vandenbrande,Jelle Wieme,Clémence Corminboeuf,Thomas D. Kühne,David E. Manolopoulos,Thomas E. Markland,Jeremy O. Richardson,Alexandre Tkatchenko,Gareth A. Tribello,Veronique Van Speybroeck,Michele Ceriotti +27 more
TL;DR: This second release of i-PI not only includes several new advanced path integral methods, but also offers other classes of algorithms that are moving towards becoming a universal force engine that is both modular and tightly coupled to the driver codes that evaluate the potential energy surface and its derivatives.
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Communication: Nonadiabatic ring-polymer molecular dynamics
TL;DR: A new method based on an extension of ring-polymer molecular dynamics is proposed for the calculation of thermal correlation functions in electronically nonadiabatic systems that scales well with the number of degrees of freedom and will be applicable to simulate certain nonadiABatic processes in complex molecular systems.
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Ring-polymer instanton method for calculating tunneling splittings.
TL;DR: The semiclassical instanton expression for the tunneling splitting between two symmetric wells is rederived, starting from the ring-polymer representation of the quantum partition function, which leads to simpler mathematics by replacing functional determinants with matrix determinants.