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http://dx.doi.org/10.18419/opus-11434
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DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Mishra, Pooja | - |
dc.date.accessioned | 2021-04-26T14:38:13Z | - |
dc.date.available | 2021-04-26T14:38:13Z | - |
dc.date.issued | 2021 | de |
dc.identifier.other | 1757439471 | - |
dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-114517 | de |
dc.identifier.uri | http://elib.uni-stuttgart.de/handle/11682/11451 | - |
dc.identifier.uri | http://dx.doi.org/10.18419/opus-11434 | - |
dc.description.abstract | In this thesis we are going to discuss the TST (chapter 2 will discuss it). Briefly explaining the NHIM and the instantaneous decay rates. The main topic of discussion is the neural networks, as discussed in chapter 3 and their emerging usage in the market. We will build our own neural network to predict the time-dependent instantaneous decay rates of a chemical reaction from random samples at the position and velocity coordinates on the NHIM. Also we are going to discuss the prediction of neural networks taking coordinates of a trajectory as the initial conditions. And eventually we will investigate on the usefulness for the reaction rates of arbitrary ensembles by predicting the time-dependent instantaneous rates of trajectories near the NHIM. | en |
dc.language.iso | en | de |
dc.rights | info:eu-repo/semantics/openAccess | de |
dc.subject.ddc | 530 | de |
dc.title | Predicting instantaneous decay rates at the transition state using neural networks and investigating their usefulness for the reaction rates of arbitrary ensembles | en |
dc.type | masterThesis | de |
ubs.fakultaet | Mathematik und Physik | de |
ubs.institut | Institut für Theoretische Physik I | de |
ubs.publikation.seiten | 43 | de |
ubs.publikation.typ | Abschlussarbeit (Master) | de |
Enthalten in den Sammlungen: | 08 Fakultät Mathematik und Physik |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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MScPoojaMishra.pdf | Master's Thesis | 2,77 MB | Adobe PDF | Öffnen/Anzeigen |
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