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Figure showing tunnelling dynamics in water hexamer

Research Areas

  • Ring-polymer molecular dynamics
  • Semiclassical instanton theory
  • Quantum-mechanical tunnelling in water clusters
  • Nonadiabatic quantum dynamics with classical trajectories
  • Nonadiabatic rate theory

Latest News

01.03.2017

Pierre Winter starts as doctoral candidate

The project is to develop microcanonical instanton theory for applications to complex chemical kinetic networks in atmospheric chemistry.

Latest Publications

An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectra.
Jeremy O. Richardson, Philipp Meyer, Marc-Oliver Pleinert, and Michael Thoss
Chemical Physics, (2017) Amsterdam: Elsevier.
Full- and reduced-dimensionality instanton calculations of the tunnelling splitting in the formic acid dimer.
Jeremy O. Richardson
Physical Chemistry Chemical Physics, (2017) Cambridge: Royal Society of Chemistry.
Microcanonical and thermal instanton rate theory for chemical reactions at all temperatures.
Jeremy O. Richardson
Faraday Discussions, (2016) Cambridge: Royal Society of Chemistry.
Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations.
Adrian N. Beyer, Jeremy O. Richardson, Peter J. Knowles, Judith Rommel, and Stuart C. Althorpe
The Journal of Physical Chemistry Letters, (2016) Washington, DC: American Chemical Society.
 
 
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30.03.2017
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