You need computing power for a certain project? - Our Core Facility Simulation might help. Please contact our Lab Manager Simulation.
Specific research areas are dynamical ab initio simulations of complex many-body systems at finite temperatures, the development of response methods, photochemistry and optical properties, biomolecular simulations on large time- and length-scales and the development of neuronal network methods for the heterogenous catalysis.
Currently used programs are among others:
where the access to all commercial packages (such as Gaussian, Molpro etc) depends on the specific licensing contracts held by the individual user groups.
We offer initial support only.
Detailed programming knowledge for the individual programs and specific scientific projects must be available within the working groups. A sophisticated algorithm allocates computing time to the individual workgroups.
Laboratory Manager -
Simulation
Room:
ZEMOS 0.25
Phone: +49 234 32 -
26751
E-Mail
Techniker -
IT-System-Administrator, Linux-Server
Room:
ZEMOS 01.71
Phone: +49 234 32 -
19401
E-Mail
Director
Room:
NBCF 03 / 296
Phone: +49 234 32 -
28083
Center for Theoretical
Chemistry
E-Mail
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Last update: Jun 30, 2023