TY  - JOUR
A1  - Bridges, Thomas J.
A1  - Reich, Sebastian
T1  - Numerical methods for Hamiltonian PDEs
N2  - The paper provides an introduction and survey of conservative discretization methods for Hamiltonian partial differential equations. The emphasis is on variational, symplectic and multi-symplectic methods. The derivation of methods as well as some of their fundamental geometric properties are discussed. Basic principles are illustrated by means of examples from wave and fluid dynamics
Y1  - 2006
UR  - http://iopscience.iop.org/1751-8121/
U6  - https://doi.org/10.1088/0305-4470/39/19/S02
SN  - 0305-4470
ER  - 
TY  - JOUR
A1  - Malic, E.
A1  - Weber, C.
A1  - Richter, M.
A1  - Atalla, V.
A1  - Klamroth, Tillmann
A1  - Saalfrank, Peter
A1  - Reich, Sebastian
A1  - Knorr, A.
T1  - Microscopic model of the optical absorption of carbon nanotubes functionalized with molecular spiropyran photoswitches
JF  - Physical review letters
N2  - The adsorption of molecules to the surface of carbon nanostructures opens a new field of hybrid systems with distinct and controllable properties. We present a microscopic study of the optical absorption in carbon nanotubes functionalized with molecular spiropyran photoswitches. The switching process induces a change in the dipole moment leading to a significant coupling to the charge carriers in the nanotube. As a result, the absorption spectra of functionalized tubes reveal a considerable redshift of transition energies depending on the switching state of the spiropyran molecule. Our results suggest that carbon nanotubes are excellent substrates for the optical readout of spiropyran-based molecular switches. The gained insights can be applied to other noncovalently functionalized one-dimensional nanostructures in an externally induced dipole field.
Y1  - 2011
U6  - https://doi.org/10.1103/PhysRevLett.106.097401
SN  - 0031-9007
VL  - 106
IS  - 9
PB  - American Physical Society
CY  - College Park
ER  -