Where is the security in Computational Chemistry Laboratories?​

Presenter

Nambi Mohanam

Abstract

Computational chemistry in practice requires hardware and software, which are often used in different capacities and configurations to capture the different complexities and configurations of chemical systems in a reasonable time at a reasonable cost.

This talk seeks to give an overview of how computational chemistry software is obtained, secured, used and validated in typical use cases on local and remote machines; focusing on the unique features arising from the computational chemist user model and computational chemistry software development.