We are aware of an issue with certificate availability and are working diligently with the vendor to resolve. The vendor has indicated that, while users are unable to directly access their certificates, results are still being stored. Certificates will be available once the issue is resolved. Thank you for your patience.

Software Engineering in and for the Molecular Sciences

Willmore, F. T., National Institute of Standards and Technology
Colina, C. M., Pennsylvania State University
Jankowski, E., Boise State University

This session presents contributions to molecular sciences with a focus on software development. Submissions including new trajectory analysis tools, advanced sampling techniques, image processing, plugins to established packages such as LAMMPS, HOOMD, NAMD, VMD, AMBER, etc, and work improving the software and compiler stacks which support molecular simulation are encouraged.



Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.


Do you already own this?



AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00