| layout | title | root |
|---|---|---|
page |
Resources |
. |
| Software | Links |
|---|---|
| Libra | Website (Code and Installation) |
| DFTB+ | Official website |
| CP2k | Official website |
| Quantum Espresso (QE) | Official website |
| Name | Affiliation | Role/Software covered |
|---|---|---|
| Dr. Alexey Akimov | University at Buffalo, USA | Workshop coordinator, Instructor for: Libra, DFTB+, CP2k, etc. |
| Dr. Sebastian Mai | University of Vienna, Switzerland | Instructor for SHARC, OpenMolcas, ORCA |
| Dr. Davide Avagliano | University of Bologna, Italy | Instructor: SHARC/COBRAMM |
| Dr. Seung Kyu Min | Ulsan National University of Science and Technology, South Korea | Instructor for: pyUNIxMD |
| Dr. Lea-Maria Ibele | University of Paris-Saclay, France | Instructor for: CT-MQC |
| Dr. Peihong Zhang | University at Buffalo, USA | Instructor for: BerkeleyGW, paratec |
| Dr. Luis Rego | Universidade Federal de Santa Catarina, Brazil | Instructor for: DynEMol |
| Dr. Jin Zhao | University of Science and Technology of China, China | Instructor for: Hefei-NAMD |
| Dr. Qijing Zheng | University of Science and Technology of China, China | Instructor for: Hefei-NAMD |
| Dr. Weibin Chu | University of Science and Technology of China, China | Instructor for: Hefei-NAMD |
| Dr. Dmitri Kilin | North Dakota State University, USA | Instructor for: TD-DFT-NAMD package |
| Name | Affiliation | Role/Software covered |
|---|---|---|
| Mr. Mohammad Shakiba | University at Buffalo, US | Co-instructor for: CP2k, DFTB+, Libra/CP2k, Libra/DFTB+, etc. |
| Mr. Dae Ho Han | Ulsan National University of Science and Technology, South Korea | Co-instructor for: pyUNIxMD |
| Dr. Matthew Dutra | University of South Carolina, US | Co-instructor for: Libra/QTAG |
| Name | Role/Software covered |
|---|---|
| Ms. Dori Sajdak | UB CCR system administrator, UB VPN, Open OnDemand, HPC accounts, etc. |