Research Interests
Our research focuses on developing and using wavepacket propagation
simulations to study fundamental processes in chemistry. In particular
I am interested in:
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Non-adiabatic effects in photochemistry
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Quantum dynamics using the MCTDH Algorithm
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Coherent Control of Molecular Systems
The Quantics Package
The Quantics program is a general purpose wavepacket dynamics code,
able to solve the time-dependent Schoedinger Equation using a variety
of methods. The main one being the MCTDH method.
As the Heidelberg MCTDH Package, it has been applied to a wide range
of problems
in chemical physics and is available on request.
See the following web site for full details.
To Quantics Home Page
Exercises to help learn the basic ideas of quantum dynamics and how
to use the Quantics program are available on the site.
"Treating Non-adiabatic Dynamics with the MCTDH method:
From Grid-based to Direct Dynamics".
A lecture given at the 16th Workshop on
Computational Physics and Materials Science, ICTP, Trieste, Jan. 2013.
"Using time-dependent Gaussian basis sets in quantum dynamics simulations".
A lecture given at a Workshop on
Mathematical Methods in Quantum Molecular Dynamics, BIRS, Banff, Canada
May 2013.