Sergio Tafur
University of Central Florida
13 Papers
8 Citations
Sergio Tafur is an academic researcher from University of Central Florida. The author has contributed to research in topics: Time-dependent density functional theory & Two-photon absorption. The author has an hindex of 4, co-authored 12 publications.
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Papers
Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
TL;DR: It is shown that the use of planar geometry constraints for the molecules, which can somewhat deviate from planarity in the gas phase, leads to sufficient accuracy of predicted values, and is proposed to use the scaled BMK results for prediction of molecular hyperpolarizability at semiquantitative level of accuracy.
Phylogenetic relationships among Staphylococcus species and refinement of cluster groups based on multilocus data
Ryan P. Lamers,Ryan P. Lamers,Gowrishankar Muthukrishnan,Todd A. Castoe,Sergio Tafur,Alexander M. Cole,Christopher L. Parkinson +6 more
TL;DR: The findings are in general agreement with gene tree-based reports of the staphylococcal phylogeny, although the results support the general importance of such multilocus assessments as a standard in microbial studies to more robustly infer relationships among recognized and newly discovered lineages.
Variational quantum solutions to the advection–diffusion equation for applications in fluid dynamics
TL;DR: In this article , a hybrid quantum-classical method is proposed to solve the advection-diffusion equation for a small system using IBM quantum computers, which scales logarithmically with the dimension of the vector space and quadratically with the number of nonzero terms in the linear combination of unitary operators that specifies the linear operator describing the system of interest.
Computational Study Of The Near Field Spontaneous Creation Of Photonic States Coupled To Few Level Systems
Sergio Tafur
- 01 Jan 2011
TL;DR: In this article, a Dirac-like equation for the photonic wave function within the region of interaction of a quantum source is presented, which is based on the Wigner-Eckert theorem which specifies the possible transitions during spontaneous creation of a photonic state and its subsequent emission.
Predictions of Two Photon Absorption Profiles Using Time-Dependent Density Functional Theory Combined with SOS and CEO Formalisms
Sergio Tafur,Ivan A. Mikhailov,Kevin D. Belfield,Artëm E. Masunov +3 more
- 25 May 2009
TL;DR: Tests of 5 conjugated chromophores experimentally shown to have large 2PA cross-sections are reported, using the Time Dependent Density Functional Theory (TD-DFT) to describe the electronic structure and provides new venues for qualitative interpretation and rational design of 2PA Chromophores.