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You may find some links across my entire homepage. Here are additional links that might be of interest.
Collaborators
The Goetz group is part of CAICE (Center for Aerosol Impacts on Chemistry of the Environment), collaborating with several theoretical and experimental groups including Benny Gerber, David Limmer, Gil Nathanson, Tim Bertram, Mark Johnson. We are also a member of the AMBER development team, contributors to the ADF density functional theory code and develop the open-source GPU enabled quantum chemistry software QUICK. See also my publication list for collaborators.
Links to a few of our collaborators:
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Michael F. Crowley
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National Renewable Energy Laboratory, Biosciences Center.
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J. Andrew McCammon
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UCSD Department of Chemistry and Biochemistry.
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Francesco Paesani
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UCSD Department of Chemistry and Biochemistry.
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Louis Noodleman
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The Scripps Research Institute, Department of Integrative Structural and Computational Biology.
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Kenneth Merz
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Michigan State University.
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Rosa E. Bulo
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Utrecht University (The Netherlands), Department of Chemistry (Inorganic Chemistry and Catalysis).
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... and many more.
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Workshops
Quantum Chemistry
| ADF (SCM) |
The ADF density functional program package which is maintained and
distributed by SCM. It scales very well on parallel platforms due to
efficient use of numerical quadrature techniques. |
| GAMESS |
GAMESS is a general ab initio quantum chemistry package, available at no
cost, including source code. |
| NWChem |
NWChem is another general ab initio quantum chemistry package, available at no
cost, including source code. |
| ORCA |
ORCA is an electronic structure program which excels in the calculation
of spectroscopic properties. Binaries are available at no cost for academic
users. |
| PSI4 |
PSI4 is an open-source quantum chemistry software
package which features a nice Python interface. |
| QUICK |
QUICK is an open-source GPU accelerated software for Gaussian based Hartree-Fock and DFT calculations that we are developing in collaboration with the Merz lab. QUICK is integrated with Amber and the default engine for ab initio QM and QM/MM molecular dynamics simulations. |
| Turbomole |
Turbomole is a program package for ab initio electronic structure
calculations which is very fast due to consistent use of the RI
approximation. |
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Molecular Dynamics
| AMBER |
The AMBER molecular dynamics program package for (condensed phase)
biomolecular simulations on workstations, parallel supercomputers or
GPUs. |
| NAMD |
The NAMD molecular dynamics program package. |
| VMD |
The VMD visualization program can be used to visualize molecular
dynamics trajectories or individual moleular structures and generate high
quality renderings suitable for publications. |
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Towns
| San Diego
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San Diego is the city I am living in at the moment. Always worth a visit.
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| Nuremberg
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Nuremberg is the town where I have spent the first 24 years of my life.
Among other things it is famous for the christmas market, the Nuremberg
sausages and ginger bread. It also hosts the world's largest toy fair.
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| Bologna
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Bologna is the beautiful hometown of my mother, located in
Emiglia-Romagna, a region in northern Italy.
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| Lisbon
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Lisbon, the capital of Portugal, offers beautiful sights, great food,
nice people and usually gorgeous weather.
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LaTeX - Useful stuff
| beamer package
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The beamer package provides the beamer class for the generation of
presentations with LaTeX. It is extremely easy to use and creates high
quality presentations (optionally with lots of gimmicks). Apart from pdf
it enables you to create ps files as usually.
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currvita package
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The currvita packages provides an easy way for creating high quality
curriculum vitae.
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last modification: 2018/09/26
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