Workshop Objectives
- Get familiar with a variety of software packages relevant to modeling of excited states and nonadiabatic dynamics
- Get an overview of theoretical background for corresponding computational methods
- Get experience using machine learning tool and applying them to modeling excited states or nonadiabatic dynamics
- Get a practical experience with these tools and packages
Project rules
- Consist of: a) short written report, b) presentation at the last day of workshop; c) set of input/output files deposited on the GitHub repository
- Should actively involve one of the packages discussed over the workshop period
- Preferably not something you have an extensive experience with
- Doesn’t have to be a full-scale research project, but can be a step towards this direction
- Projects completed using local or home institution resources are eligible
- Can be an application or a coding project
- The consistency in your course work during this school will contribute to your chances to win the awards
- The awards decisions will be made based on the committee evaluation. The awards will be: 1 first prize ($300), 3 second, and 5 third prizes.
Participants
| Number | Name | Role | Institution | Country | Supervisor | Participation Mode | Outcome |
|---|---|---|---|---|---|---|---|
| 1 | Saheer V.C. | FAC-PHD | Government Brennen College | India | N/A | in-person | N/A |
| 2 | Marshall McCord | GRA-2 | North Dakota State University | USA | Svetlana Kilina | remote | N/A |
| 3 | Dong Le | GRA-3 | University at Buffalo, SUNY | USA | Jochen Autschbach | in-person | N/A |
| 4 | Victor Freixas | PD | UC, Irvine | USA | Shaul Mukamel | in-person | N/A |
| 5 | Jieyang Gu | GRA-1 | Bowling Green State University | USA | Alexey Akimov | remote | N/A |
| 6 | Isaac Huidobro | GRA-2 | McMaster University | Canada | Rodrigo A. Vargas-Hernandez | remote | N/A |
| 7 | Chanikya Jayawardana | GRA-3 | University of South Carolina | USA | Vitaly Rassolov | in-person | N/A |
| 8 | Sidra Azam | MPhil | University of Sargodha | Pakistan | Tauqeer Ahmad | remote | N/A |
| 9 | Giacomo Botti | PD | University of South Carolina | USA | Sophya Garashchuk | in-person | N/A |
| 10 | Diana Bagatella | GRA-5 | New Jersey Institute of Technology | USA | Farnaz A. Shakib | in-person | N/A |
| 11 | Md Razzak | GRA-3 | North Dakota State University | USA | Svetlana Kilina | in-person | N/A |
| 12 | Matthew Machelor | GRA-1 | University at Buffalo, SUNY | USA | Troy Wood | in-person | N/A |
| 13 | Di Lei | GRA-2 | University of New Mexico | USA | Oleg Prezhdo | remote | N/A |
| 14 | Jonathan Karin | GRA-1 | University of New Mexico | USA | Oleg Prezhdo | in-person | N/A |
| 15 | Helen Clifford | GRA-2 | University of Chicago | USA | Laura Gagliardi | in-person | N/A |
| 16 | Amirhossein Amini | GRA-2 | Texas A and M University | USA | Arkajit Mandal | in-person | N/A |
| 17 | Nygil Thomas | FAC-PUI | Nirmalagiri College | India | N/A | in-person | N/A |
| 18 | Hung Nguyen | GRA-5 | University of Iowa | USA | Claudio J. Margulis | in-person | N/A |
| 19 | Utkarsh Singh | GRA-3 | JNCASR, Bengaluru | India | Swapan K. Pati | remote | N/A |
| 20 | Yeseong Choi | GRA-2 | Korea Advanced Institute of Science and Technology (KAIST) | Korea | Hyungjun Kim | remote | N/A |
| 21 | Deb Indronil Sajib | GRA-2 | University at Buffalo, SUNY | USA | Uttam Singisetti | in-person | N/A |
| 22 | Sujata Nandi | GRA-5 | Cornell University | USA | Nandini Ananth | in-person | N/A |
| 23 | Tejas Thorat | GRA-1 | Christian Albrechts University of Kiel | Germany | Anna Hehn | in-person | N/A |
| 24 | Saif Ullah | PD | University at Buffalo, SUNY | USA | Peihong Zhang | in-person | N/A |
| 25 | Matinehsadat Hosseinigheidari | GRA-3 | University at Buffalo, SUNY | USA | Uttam Singisetti | in-person | N/A |
| 26 | Julio Monterrosas | PD | Clemson University | USA | Justin J. Talbot | in-person | N/A |
| 27 | Qabas Al Khatib | GRA-3 | Case Western Reserve University | USA | Shane Parker | in-person | N/A |
| 28 | Efrain Martinez | GRA-2 | University at Buffalo, SUNY | USA | Peihong Zhang | in-person | N/A |
| 29 | Luis Rodriguez | GRA-4 | University of Jyvaskyla | Finland | Gerrit Groenhof | remote | N/A |
| 30 | Esteban Gadea | PD | University of Utah | USA | Valeria Molinero | in-person | N/A |
| 31 | Mrigank Singh | GRA-2 | Case Western Reserve University | USA | Shane Parker | remote | N/A |
| 32 | Slater Bakenhaster | GRA-2 | Kent State University | USA | Barry D. Dunietz | remote | N/A |
| 33 | Aniket Mandal | PD | Rutgers University | USA | Michele Pavanello | in-person | N/A |
| 34 | Ferdawss Ihiri | GRA-3 | UCLA | USA | Miguel Garcia-Garibay, Anastassia Alexandrova | in-person | N/A |
| 35 | Owen Holt-Frank | GRA-2 | Georgia Institute of Technology | USA | Joshua Kretchmer | in-person | N/A |
| 36 | Deokgi Hong | PD | UT Dallas | USA | Kyeongjae Cho | in-person | N/A |
| 37 | Jesse Velasco | GRA-2 | University of New Mexico | USA | Oleg Prezhdo | in-person | N/A |
| 38 | Kosar Yasin | GRA-4 | University at Buffalo, SUNY | USA | Alexey Akimov | in-person | N/A |
| 39 | Layla Heidarizadeh | GRA-4 | University at Buffalo, SUNY | USA | Alexey Akimov | in-person | N/A |
| 40 | Henry Longo | GRA-1 | University of Rochester | USA | Ignacio Franco | remote | N/A |
| 41 | Peter Schubert | GRA-2 | Indiana University | USA | Gerardo Ortiz | remote | N/A |
| 42 | Santiago Gomez | GRA-4 | University of Jyvaskyla | Finland | Gerrit Groenhof | remote | N/A |
| 43 | Uday Sankar Manoj | GRA-3 | Pennsylvania State University | USA | Lukas Muechler | remote | N/A |
Notes:
bolded are participants with access to UB HPC; GRA-N - graduate students, N-th year; PD - postdoc; FAC-PHD - faculty at a PhD-granting institution, FAC-PUI - faculty at a primarily undergraduate institution
1st, 2nd (2 positions), and 3rd (5 positions) prizesare won based on students’ project presentations and course work documentation
graduatedmeans that student has documented their work via creating their GitHub repository with the corresponding materials these students might or might not have participated in the presentation section
attendedmeans that students have participated in the workshop in some way - either by watching presentations or by following the course work (hans-on) either on UB system or at their home institutions during the period of the workshop.