Joel M. Bowman
Affiliations: | Chemistry | Emory University, Atlanta, GA |
Area:
Physical Chemistry, Atmospheric ChemistryGoogle:
"Joel Bowman"Mean distance: (not calculated yet)
Children
Sign in to add trainee| Apurba Nandi | grad student | Emory | |
| Shengli Zou | grad student | 2003 | Emory |
| Xinchuan Huang | grad student | 2004 | Emory |
| Tiao Xie | grad student | 2005 | Emory |
| Zhong Jin | grad student | 2006 | Emory |
| Jaime L. Rheinecker | grad student | 2006 | Emory |
| Zhen Xie | grad student | 2008 | Emory |
| Riccardo Conte | post-doc | Emory | |
| Bina Fu | post-doc | 2009-2012 | Emory |
| Antonio G. Sampaio de Oliveira-Filho | post-doc | 2013-2014 | Emory |
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Publications
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| Houston PL, Qu C, Yu Q, et al. (2024) Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer. Journal of Chemical Theory and Computation |
| Pandey P, Qu C, Nandi A, et al. (2024) Ab Initio Potential Energy Surface for NaCl-H with Correct Long-Range Behavior. The Journal of Physical Chemistry. A |
| Houston PL, Qu C, Yu Q, et al. (2024) A New Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation. The Journal of Physical Chemistry. A |
| Yu Q, Qu C, Houston PL, et al. (2023) A Status Report on "Gold Standard" Machine-Learned Potentials for Water. The Journal of Physical Chemistry Letters. 8077-8087 |
| Qu C, Houston PL, Yu Q, et al. (2023) Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations. The Journal of Chemical Physics. 159 |
| Qu C, Yu Q, Houston PL, et al. (2023) Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds. Journal of Chemical Theory and Computation |
| Nandi A, Laude G, Khire SS, et al. (2023) Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands. Journal of the American Chemical Society. 145: 9655-9664 |
| Houston PL, Qu C, Yu Q, et al. (2023) PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials. The Journal of Chemical Physics. 158: 044109 |
| Bowman JM, Qu C, Conte R, et al. (2022) Δ-Machine Learned Potential Energy Surfaces and Force Fields. Journal of Chemical Theory and Computation |
| Conte R, Nandi A, Qu C, et al. (2022) Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of - and -Ethanol Using a CCSD(T) Potential Energy Surface. The Journal of Physical Chemistry. A. 126: 7709-7718 |