Resources
| Software | Links | ||
|---|---|---|---|
| Libra | Website (Code and Installation) | Website (general description, tutorials, old installation) | Tutorials |
| NWChem | Website | ||
| GAMESS-US | Website | ||
| Quantics and MCTDH | Website |
Instructors, co-instructors, and credits
Instructors
| Name | Affiliation | Role/Software covered |
|---|---|---|
| Dr. Alexey Akimov | University at Buffalo, USA | Workshop coordinator, Instructor for: Libra, DFTB+, CP2k, etc. |
| Dr. Niri Govind | Pacific Northwest National Lab, USA | Instructor for: NWChem |
| Dr. Daniel Mejia Rodriguez | Pacific Northwest National Lab, USA | Instructor for: NWChem |
| Dr. Edoardo Apra | Pacific Northwest National Lab, USA | Instructor for: NWChem |
| Dr. Michael Filatov | Kyungpook National University, Department of Chemistry, South Korea | Instructor for: GAMESS-US, pyUNIxMD |
| Dr. Graham Worth | University College London, UK | Instructor for: Quantics, MCTDH |
| Dr. Micheline Soley | University Wisconsin-Madison, USA | Instructor for: TT-SOFT, TT-Chebyshev |
Our co-instructors/helpers
| Name | Affiliation | Role/Software covered |
|---|---|---|
| Dr. Eryn Spinlove | University College London, UK | Co-instructor for: Quantics, MCTDH |
| Mr. Qingxin Zhang | University at Buffalo, US | Co-instructor for: Libra, pyUNIxMD |
| Mr. Mohammad Shakiba | University at Buffalo, US | Co-instructor for: Libra, CP2K |
| Dr. Konstantin Komarov | Pohang University of Science and Technology, South Korea | Co-instructor for: GAMESS-US, pyUNIxMD |
| Ms. Elizabeth Stippel | University of Southern California | Co-instructor for: Pysces |
The UB Center for Computational Research team
| Name | Role/Software covered |
|---|---|
| Ms. Dori Sajdak | UB CCR system administrator, UB VPN, Open OnDemand, HPC accounts, etc. |