Joel M Bowman

13PUBLICATIONS
24CO-AUTHORS
Theoretical quantum chemistryRadiation and matterStatistical mechanics in chemistryElectronic and magnetic properties of condensed matter; superconductivityNonlinear optics and spectroscopy
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Publications (13)

|Feb 09, 2021
Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) level of theory.

Apurba Nandi, Chen Qu, Paul L Houston

|Dec 31, 2020
Full-dimensional, ab initio potential energy surface for glycine with characterization of stationary points and zero-point energy calculations by means of diffusion Monte Carlo and semiclassical dynamics.

Riccardo Conte, Paul L Houston, Chen Qu

|Oct 02, 2020
Decoding the 2D IR spectrum of the aqueous proton with high-level VSCF/VCI calculations.

William B Carpenter, Qi Yu, John H Hack

|Aug 11, 2020
Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface.

Jun Chen, Jun Li, Joel M Bowman

|Jul 17, 2020
Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics.

Paul Houston, Riccardo Conte, Chen Qu

|Sep 16, 2019
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen.

Yinan Shu, Joanna Kryven, Antonio Gustavo Sampaio de Oliveira-Filho

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Frequent Collaborators

5 joint publications

Chen Qu

4 joint publications

Paul L Houston

3 joint publications

Riccardo Conte

2 joint publications

Qingfeng Kee Wang