| Title | Authors | Journal or Book | Vol. | Page | Year |
| Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of trans- and gauche-Ethanol Using a CCSD(T) Potential Energy Surface | R. Conte, A. Nandi, C. Qu, Q. Yu, P. L. Houston and J. M. Bowman | J. Phys. Chem. A | 126 | 7709 | 2022 |
| Nonadiabatic Reactive Quenching of OH(A2Σ+) by H2: Origin of High Vibrational Excitation in the H2O Product | S. Han, B. Zhao, R. Conte, C. L. Malbon, J. M. Bowman, D. R. Yarkony and H. Guo, | J. Phys. Chem. A | 126 | 6944 | 2022 |
| MULTIMODE, The n-Mode Representation of the Potential and Illustrations to IR Spectra of Glycine and Two Protonated Water Clusters | Qi Yu, Chen Qu, Paul L Houston, Riccardo Conte, Apurba Nandi, Joel M Bowman | Vibrational Dynamics of Molecules | | 296 | 2022 |
| A Machine Learning Approach for Rate Constants III: Application to the Cl(P) + CH4 –> CH3 + HCl Reaction | PL Houston, A Nandi, JM Bowman | J. Phys. Chem. | 126 | 5672 | 2022 |
| A -Machine Learning Approach for Force Fields, Illustrated by a CCSD(T) 4-body Correction to the MB-pol Water Potential | C Qu, Q Yu, R Conte, PL Houston, A Nandi, JM Bowman | Digital Discovery | in press | xxxx | 2022 |
| Quantum calculations on a CCSD (T) machine-learned PES reveal the leaky nature of gas-phase trans and gauche ethanol conformers | A Nandi, R Conte, C Qu, PL Houston, Q Yu, JM Bowman | J. Comp. Theo. Chem. | 18 | 5527 | 2022 |
| The MD17 Datasets from the Perspective of Datasets for Gas-Phase“Small” Molecule Potentials | JM Bowman, C Qu, R Conte, A Nandi, PL Houston, Q Yu | J. Chem. Phys. | 156 | 240901 | 2022 |
| q-AQUA: a many-body CCSD(T) water potential, including 4-body interactions, demonstrates the quantum nature of water from clusters to the liquid phase. | Q. Yu, C. Qu, P. L. Houston, R. Conte, A. Nandi, J. M. Bowman | J. Phys. Chem. Letts. | 13 | 5068 | 2022 |
| Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods | P. L. Houston, C. Qu, A. Nandi, R. Conte, Q. Yu, J. M. Bowman, | J. Chem. Phys. | 156 | 044120 | 2022 |
| Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence | T. Endo, S. P. Neville, P. Lassonde, C. Qu, H. Fujise, M. Fushitani, A. Hishikawa, P. L. Houston, J. M. Bowman, F. Legare, M. S. Schuurman and H. Ibrahim | Phys. Chem. Chem. Phys. | 24 | 1779 | 2022 |
