Texas Tech University
Research at Texas Tech involved exposure to:
- NWChem
- Venus05
- Columbus
University of California - Davis
Coauthor of Dean J. Tantillo group manual (information compiled for future and junior lab members on topics varying from: basic physical organic chemistry, to preparation of manuscripts and presentations, to advice for passing departmental requirements, to advanced computing techniques - 172 pages).
Active computer Administrator for a computational chemistry group has involved:
- Maintenance of Graduate (78 compute cores, 23 compute sockets), and Undergraduate (28 compute cores, 28 compute sockets) linux based computing clusters including diagnosis and repair of both hardware and software problems.
- Setup and Maintenance of Backup Server including backup protocols for compute clusters and office computers.
- Setup and Maintenance of Cross-Platform File Server.
- Design, Setup and Maintenance of Small Office Network (less than 24 pieces of hardware).
- Exposure to:
Operating Systems: Mac, PC and linux systems, including Red Hat, Fedora, Rocks, and Ubuntu.
Server Administration Highlights: PBS and Torque queueing systems were personally implemented, BackupPC installed and configured for Backup Server, and setup of RAID 0, 1 and 5 on various systems.
Computational Chemistry Software: Gaussian03, GaussView, ACES2, ADF, Ball&Stick and Babel.
Scripting/Production Software: Shell Scripting and LaTex.
Various End-User Software for PC and Mac environments, including Microsoft Excel, Word and Powerpoint, Apple Keynote and Adobe Photoshop and Illustrator.