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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

18.01.2017

Manish Thapa starts as doctoral candidate

The project is to develop nonadiabatic quantum transition-state theory for studying electron-transfer processes in complex molecular systems.

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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19.02.2017
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