All Outputs (44)

A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics (2022)
Journal Article
Cross, T. M., Benoit, D. M., Pignatari, M., & Gibson, B. K. (2022). A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics. The Astrophysical journal, 925(1), Article 57. https://doi.org/10.3847/1538-4357/ac3976

This work presents the first steps to modeling synthetic rovibrational spectra for all molecules of astrophysical interest using a new approach implemented in the Prometheus code. The goal is to create a new comprehensive source of first-principles m... Read More about A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics.

Galactic Chemical Evolution of Radioactive Isotopes with an s-process Contribution (2022)
Journal Article
Trueman, T. C. L., Côté, B., Yagüe López, A., Den Hartogh, J., Pignatari, M., Soós, B., …Lugaro, M. (2022). Galactic Chemical Evolution of Radioactive Isotopes with an s-process Contribution. The Astrophysical journal, 924(1), 10. https://doi.org/10.3847/1538-4357/ac31b0

Analysis of inclusions in primitive meteorites reveals that several short-lived radionuclides (SLRs) with half-lives of 0.1-100 Myr existed in the early solar system (ESS). We investigate the ESS origin of 107Pd, 135Cs, and 182Hf, which are produced... Read More about Galactic Chemical Evolution of Radioactive Isotopes with an s-process Contribution.

The First Large Absorption Survey in H i (FLASH): I. Science goals and survey design (2022)
Journal Article
Allison, J. R., Sadler, E. M., Amaral, A. D., An, T., Curran, S. J., Darling, J., …Zwaan, M. A. (2022). The First Large Absorption Survey in H i (FLASH): I. Science goals and survey design. Publications / Astronomical Society of Australia, 39, Article e010. https://doi.org/10.1017/pasa.2022.3

We describe the scientific goals and survey design of the First Large Absorption Survey in H i (FLASH), a wide field survey for 21-cm line absorption in neutral atomic hydrogen (H i) at intermediate cosmological redshifts. FLASH will be carried out w... Read More about The First Large Absorption Survey in H i (FLASH): I. Science goals and survey design.

Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions (2022)
Journal Article
Lauvergnat, D., Chen, A., Benoit, D. M., Scribano, Y., Nauts, A., & DavidLauvergnat. (2022). Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions. Journal of chemical theory and computation : JCTC, https://doi.org/10.1021/acs.jctc.2c00108

A Smolyak algorithm adapted to system-bath separation is proposed for rigorous quantum simulations. This technique combines a sparse grid method with the system-bath concept in a specific configuration without limitations on the form of the Hamiltoni... Read More about Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.