AutoGAMESS
This is a Python package I developed to automate GAMESS(US) Raman calculations
This is a Python package I developed to automate GAMESS(US) Raman calculations
Published in Journal of Open Source Software, 2019
This paper is about automating the workflow of Raman calculations using GAMESS(us)
Recommended citation: Ferrari, Brian. "AutoGAMESS: A Python package for automation of GAMESS (US) Raman calculations." Journal of Open Source Software 4.41 (2019): 1612. https://joss.theoj.org/papers/10.21105/joss.01612
Published in Journal of Physics: Conference Series, 2019
This paper benchmarks various basis sets in predicting spectroscopic properties of water
Recommended citation: Ferrari, Brian C., and Chris J. Bennett. "A Comparison of Medium-Sized Basis Sets for the Prediction of Geometries, Vibrational Frequencies, Infrared Intensities and Raman Activities for Water." Journal of Physics: Conference Series. Vol. 1290. No. 1. IOP Publishing, 2019. https://iopscience.iop.org/article/10.1088/1742-6596/1290/1/012013/meta
Published in The Astrophysical Journal Letters, 2019
A rovibrational study on CO3 and C2O3, two molecules that could explain the O2 in Comet 67P
Recommended citation: Fortenberry, Ryan C., et al. "Rovibrational Spectral Analysis of CO3 and C2O3: Potential Sources for O2 Observed in Comet 67P/Churyumov–Gerasimenko." The Astrophysical Journal Letters 886.1 (2019): L10. https://iopscience.iop.org/article/10.3847/2041-8213/ab53e8/meta
Published in Molecular Physics, 2020
This paper reports the predicted equilibrium geometries, energetics, vibrational frequencies, infrared intensities and Raman activities of C2Oy (y = 3, 4) species
Recommended citation: Ferrari, Brian C., and Chris J. Bennett. "A computational investigation of the equilibrium geometries, energetics, vibrational frequencies, infrared intensities and Raman activities of C2O y (y= 3, 4) species." Molecular Physics (2020): e1837404. https://www.tandfonline.com/doi/full/10.1080/00268976.2020.1837404?scroll=top&needAccess=true
Published in Accounts of Chemical Research, 2021
This is an account of laboratory-based experimental astrochemistry research
Recommended citation: Ferrari, Brian C., Katerina Slavicinska, and Christopher J. Bennett. "Role of Suprathermal Chemistry on the Evolution of Carbon Oxides and Organics within Interstellar and Cometary Ices." Accounts of Chemical Research (2021): 1181-1189. https://pubs.acs.org/doi/abs/10.1021/acs.accounts.0c00731
Published in ACS Earth and Space Chemistry, 2023
This is paper benchmarks various DFT functionals and reports CO binding energies.
Recommended citation: Ferrari, Brian C., et al. "Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices." ACS Earth and Space Chemistry (2023). https://pubs.acs.org/doi/full/10.1021/acsearthspacechem.3c00086
Published:
Abstract: Here, we investigated the electron irradiation of astrophysical ice analogs in an Ultra-High Vacuum (UHV) chamber with base pressure of 3x10-11 torr. Gas was introduced to the chamber, then condensed on a sample holder, which was then irradiated with a 2keV electrons over various time intervals. Fourier Transform Infrared (FTIR) spectra were taken before and after each interval of irradiation, allowing us to monitor product formation with the ice. We then performed temperature programed desorption (TPD) while monitoring the desorbed products with a quadrupole mass spectrometer (QMS). Our work presents a better understanding of the dynamics involved in the irradiation of airless bodies in the solar system, and elucidates the intermediate reactions occurring during radiation induced processing of ices. We also present findings that could show how biomolecules, such as amino acids, form on the surface of Enceladus through the interaction of the magnetosphere with plume material from Enceladus.
CCP2018 Poster, UC Davis, 2018
A work benchmarks various basis sets in predicting spectroscopic properties of water
Workshop, UCF Raspberry Jam, 2018
A workshop on digital logic circuit theory and applications.
Workshop, UCF Raspberry Jam, 2018
A workshop on introductory python programming.
DPS2020 iPoster, DPS2020, 2020
A combined computational and experimental search for novel carbon oxides.