| Grant number: | 14/14470-1 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| Start date: | February 01, 2015 |
| End date: | August 31, 2016 |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry - Physical-Chemistry |
| Agreement: | Coordination of Improvement of Higher Education Personnel (CAPES) |
| Principal Investigator: | Francisco Bolivar Correto Machado |
| Grantee: | Corey Alan Petty |
| Host Institution: | Divisão de Ciências Fundamentais (IEF). Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil |
Abstract We propose to use the ScalIT program, which is an exact quantum dynamics suite of massively parallel codes to perform bound rovibrational spectroscopy calculations. One such application will be ozone and its associated isotope effects, which plays an important role in atmospheric physics and climate processes, among others. High level electronic calculations on ozone will also be performed to build the potential energy surface. Exact quantum dynamics calculations, as applied to bound rovibrational spectroscopy, are computationally expensive, and as such, require large computing facilities. We plan to install and parallelize the software suite at ITA facilities. The introduction of ScalIT to ITA not only offers a scientific tool for experimentalists, but presents an opportunity for researchers to perform calculations on the computational facilities at TTU at which ScalIT lives on, and in ITA after its implementation on the ITA computational facilities. (AU) | |
| News published in Agência FAPESP Newsletter about the scholarship: | |
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