Education & Outreach

While most students in chemistry, biology, and physics receive training in experimental laboratory techniques, the U.S. curriculum often ignores instruction in algorithm and software design. As a result, many research groups train new students in an ad hoc manner. On the other hand, computer science students are rarely exposed to the models and software technologies of the computational molecular sciences.

The Institute has a far-reaching mandate to provide education, training, and associated resources, and will implement these to span the broad range of constituents from high-school students to postdoctoral associates to faculty. Several specific educational initiatives are planned.

  • Software Summer Schools We plan to hold intense 10-day events for training at all levels of professional development. A range of topics will be covered including fundamentals such as Python scripts, git repositories, distributed and shared memory parallel computing, and GPU programming, oriented towards the computational molecular sciences.

  • PH.D. Certificate in Software Engineering The MolSSI will coordinate with our affiliated Ph.D. granting institutions to offer a certificate in computational science and/or software engineering that will endow graduate students with knowledge and skills that are likely to serve them well later in many possible career directions. This will contribute to the success of students in both their research and in careers beyond academia.

  • Professional Master’s in Molecular Engineering The Institute will coordinate with U.C. Berkeley to offer a Professional Master’s degree in Molecular Simulation and Software Engineering (MSSE). Our MSSE Professional Master’s program will build a general computational approach to confronting a problem in science and engineering with awareness of the possible limitation of standardized algorithms and software. In addition to technical preparation, management and leadership courses would allow the Master’s student to lead complex software engineering endeavors and to succeed in the commercial world.