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Theoretical Molecular Quantum Dynamics
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Theoretical Molecular Quantum Dynamics
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News
2016
09
Group founded
10
Simon Ghysbrecht starts as Master's student
Johann Mattiat starts as Master's student
Article Published in J. Phys. Chem. Lett
11
New preprint on tunnelling in formic acid dimer
12
New paper published in PCCP
2017
01
Danilo Calderini starts as Postdoc
Manish Thapa starts as doctoral candidate
03
Pierre Winter starts as doctoral candidate
07
08
arXiv paper published
09
PRL: tunnelling on metal surfaces
11
Jeremy's Inaugural Lecture
12
Kinetic isotope effects and how to describe them
2018
01
Path-Integral CECAM School
05
Michele Gandolfi joins group as researcher
New preprint
Perspective on instanton theory
06
Review paper published
11
New preprint
New preprint
2019
03
Pierre has published a new method for canonical instantons!
08
Johan has published a paper on nonadiabatic dynamics
10
A new paper from the group has been published in collaboration with EPFL!
12
A new paper from the group has been published in JCP!
2021
12
New paper on dominant heavy-atom tunnelling at room temperature in spin-crossover reactions
New paper shows how to describe quantum entanglement with classical trajectories
2022
01
New paper shows how to compute nonlinear optical spectra with classical trajectories
03
New paper on Instanton theory for Fermi's golden rule and superexchange reactions
04
Rates beyond the Golden Rule - a new semiclassical theory of nonadiabatic reactions
Photosynthesis is more classical than previously believed
12
Master equations make spin-mapping faster and better
A MASH-up between mapping and surface hopping
2023
01
Machine Learning of a Double-Valued Function
07
Understanding the tunnelling in molecules with classical trajectories and rigorous asymptotic analysis.
10
How do conical intersections affect chemical reactions?
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Tunnelling in Water Clusters
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