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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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. Dr. Rômulo Augusto Ando (raando@iq.usp.br ), as part of the FAPESP Thematic Project “Signal-Enhanced Spectroscopies: Nanomaterials, Theory, and Computational Simulation” (grant number 2022/11983-4
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. Prerequisites: - Bachelor's degree in Computer Science, Computer Engineering, or related fields; - Doctorate may be in a related field, if proven experience in AI/ML is demonstrated; - Scientific and mathematical
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