Get in touch with us if you are interested in the development of molecular simulations methods and software for high-performance computing platforms based on quantum and classical molecular mechanics, statistical mechanics, machine learning and data science, as well as applications in biochemistry and biophysics, atmospheric chemistry, and catalysis. We use Python, Fortran, and C++, with OpenMP, MPI, and CUDA for parallel implementations on CPUs and GPUs. We use a range of quantum chemistry and molecular dynamics programs, we develop our own software, and we contribute to ADF and Amber.

Specific knowledge of programming languages or computational / theoretical chemistry or data science is less critical to join the group than a keen interest in the research in the lab and outstanding intellectual ability and research skills. Inquiries should include a cover letter and a current CV.

Postdoctoral positions

There are currently no openings.

If you have your own funding and would like to join the lab, or are applying for funding and would like sponsorship of your application please contact Dr. Andreas Goetz (agoetz_at_sdsc.edu).

Student internships

Projects will depend on interests and involve software engineering, or molecular simulation studies. Programming languages employed in the lab include Python, Fortran, and C++ with OpenMP, MPI and CUDA for multi-core processors and many-core GPUs. Applications typically employ density functional theory or wave function based quantum chemistry approaches, and molecular dynamics simulations using classical force fields, accurate many-body potentials or mixed quantum/classical QM/MM potentials. Applications range from atmospheric chemistry through catalysis to computational studies of the behavior of proteins and enzymes.

Students are expected to work closely with full time researchers in the lab. Experience with Linux is essential and the ability to write and understand complex computer code is desirable. Specific knowledge of above mentioned programming languages or computational / theoretical chemistry areas are less critical to join the group than a keen interest in the research in the lab and outstanding intellectual ability and research skills.

Internship students should be registered undergraduate or graduate students at UCSD or at another U.S. institution, be either U.S. Citizens, Permanent Residents or have USCIS authorization to work during summer recess. With appropriate planning we can also accept international students for short- or long-term visits, depending on availability of visa.

Interested students should contact Dr. Andreas Goetz (agoetz_at_sdsc.edu) to discuss possible projects and the availability of positions.

Visiting academics