Megan C Davis

7PUBLICATIONS
9CO-AUTHORS
Chemical and thermal processes in energy and combustionTheoretical quantum chemistryCondensed matter modelling and density functional theory
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Publications (7)

|Jul 17, 2026
Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials.

|Dec 08, 2025
Design of active sites for amine-functionalized direct air capture materials using integrated high-throughput calculations and machine learning.

Megan C Davis, Wilton J M Kort-Kamp, Ivana Matanovic

|Mar 11, 2024
Performance of EOM-CCSD(T)(a)*-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the Ã1A″ State of :CCH2 (Vinylidene).

Alexandria G Watrous, Megan C Davis, Ryan C Fortenberry

|Jan 17, 2024
DFT + F12 QFFs for Cost-Effective Rovibrational Spectral Data Predictions of Ground and Excited Electronic States.

Noah R Garrett, Megan C Davis, Ryan C Fortenberry

|May 26, 2023
F12+EOM Quartic Force Fields for Rovibrational Predictions of Electronically Excited States.

Megan C Davis, Noah R Garrett, Ryan C Fortenberry

|Feb 25, 2023
Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations.

Megan C Davis, Xinchuan Huang, Ryan C Fortenberry

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Frequent Collaborators

5 joint publications

Ryan C Fortenberry

2 joint publications

Wilton J M Kort-Kamp

2 joint publications

Ivana Matanovic

1 joint publications

Xinchuan Huang