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You may find some links across my entire homepage. Here are additional links that might be of interest.


Ross C. Walker Walker molecular dynamics lab at the San Diego Supercomputer Center.
Michael F. Crowley National Renewable Energy Laboratory, Chemical and Biosciences.
J. Andrew McCammon UCSD Department of Chemistry and Biochemistry.
Francesco Paesani UCSD Department of Chemistry and Biochemistry.
Louis Noodleman The Scripps Research Institute, Department of Integrative Structural and Computational Biology.
Rosa E. Bulo Utrecht University (The Netherlands), Department of Chemistry (Inorganic Chemistry and Catalysis).
and a few other more loosely connected collaborations.


GPU Computing Symposium at SDSC (November 2013) A two GPU computing event under the umbrella of the CUDA Teaching Center at SDSC, organized by myself, Ross Walker (SDSC), and John Saposhnik (Nvidia).
AMBER workshop at ECNU in Shanghai (August 2011) A five day workshop (22-26 August, 2011) that aims to introduce researchers in the field of (bio)molecular simulations to the broad collection of computational tools implemented in the AMBER and AmberTools software packages for molecular dynamics simulations.
ADF workshop at SDSC (March 2011) A workshop geared both at beginners and expert users of ADF wishing to learn about the new features of the ADF2010.02 release.


SDSC QC/MD seminar 2011 A seminar focusing on quantum chemistry and molecular dynamics, held less frequently than its 2010 incarnation at the San Diego Supercomputer Center
SDSC QC/MD seminar 2010 A seminar focusing on quantum chemistry and molecular dynamics, held every other Friday at the San Diego Supercomputer Center

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.
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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San Diego San Diego is the city I am living in at the moment. Always worth a visit.
Nuremberg 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.
Bologna Bologna is the beautiful hometown of my mother, located in Emiglia-Romagna, a region in northern Italy.
Lisbon 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 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.
currvita package The currvita packages provides an easy way for creating high quality curriculum vitae.

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last modification: 2014/05/12