Joel M. Bowman - Publications, H-index & Citations

Joel M. Bowman

emory university

89H指数

727论文数

3.2W被引数

收录论文 225

发表时间

VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned Potential 使用机器学习势能在笔记本电脑上几秒钟内完成对CH3COOC6H4COOH振动能量的VPT2计算

The Journal of Physical Chemistry Letters

IF0

2026-06-04

OAAI

Saikiran Kotaru; Chen Qu; Apurba Nandi; Paul L. Houston; Joel M. Bowman

Roaming dynamics in highly excited-state unimolecular and complex bimolecular reactions 高激发态单分子和复合双分子反应中的漫游动力学

phys. chem. chem. phys.

IF0

2026-05-06

PREAI

Yanlin Fu; Yong-Chang Han; Dong Hui Zhang; Joel M. Bowman; Bina Fu

Tests Demonstrate the Accuracy of the Qim-Reaction Path Hamiltonian for Double-Well Tunneling Splittings for H-Atom Transfer 测试证明了Qim-Reaction Path Hamiltonian对于H-原子转移的双势阱隧穿分裂的准确性。

The Journal of Physical Chemistry A

IF2.8

2026-04-03

OAAI

Chen Qu; Apurba Nandi; Paul L. Houston; Joel M. Bowman

Gold-Standard Δ-Machine Learned Transferable Potential for Linear Alkanes 金标准Δ-机器学习可转移势能函数用于线性烷烃

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2025-11-01

PREAI

Qu, Chen; Nandi, Apurba; Houston, Paul L.; Yu, Qi; Conte, Riccardo; Bowman, Joel M.

Revisiting the H5O2+ IR Spectrum with VSCF/VCI and the Influence of Mark Johnson’s Experiments in Advancing the Theory of Protonated Water Clusters 重新审视H5O2+的IR光谱：使用VSCF/VCI方法及其对质子化水簇理论发展的Mark Johnson实验的影响

The Journal of Physical Chemistry A

IF0

2025-07-24

OAAI

Ruitao Ma; Chen Qu; Paul L. Houston; Riccardo Conte; Apurba Nandi; Joel M. Bowman; Qi Yu

Theoretical and quantum mechanical deconstruction of vibrational energy transfer pathways modified by collective vibrational strong coupling 理论与量子力学对受集体振动强耦合修饰的振动能量转移路径的解构

Nature Communications

IF15.7

2025-07-22

OAAI

Qi Yu; Dong H. Zhang; Joel M. Bowman

A perspective marking 20 years of using permutationally invariant polynomials for molecular potentials 一种回顾使用置换不变多项式标记分子势能20年历程的视角

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-05-13

PREAI

Bowman, Joel M.; Qu, Chen; Conte, Riccardo; Nandi, Apurba; Houston, Paul L.; Yu, Qi

Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials 用化学驱动的方法扩展原子分解和多体表示，以实现机器学习潜力

NATURE COMPUTATIONAL SCIENCE

IF18.3

2025-04-14

PREAI

Yu, Qi; Ma, Ruitao; Qu, Chen; Conte, Riccardo; Nandi, Apurba; Pandey, Priyanka; Houston, Paul L.; Zhang, Dong H.; Bowman, Joel M.

Targeted Transferable Machine-Learned Potential for Linear Alkanes Trained on C14H30 and Tested for C4H10 to C30H62 针对线性烷烃的可转移机器学习势：基于C14H30训练，并测试C4H10至C30H62

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-03-27

OAAI

Qu, Chen; Houston, Paul L.; Allison, Thomas; Bowman, Joel M.

Castrate-resistant prostate cancer response to taxane is determined by an HNF1-dependent apoptosis resistance circuit 去势抵抗性前列腺癌对紫杉烷的反应由HNF1依赖的凋亡抵抗回路决定

CELL REPORTS MEDICINE

IF10.6

2024-12-01

PREAI

Senatorov, Ilya S.; Bowman, Joel; Jansson, Keith H.; Alilin, Aian Neil; Capaldo, Brian J.; Lake, Ross; Riba, Morgan; Abbey, Yasmine C.; Mcknight, Crystal; Zhang, Xiaohu; Raj, Sonam; Beshiri, Michael L.; Shinn, Paul; Nguyen, Holly; Thomas, Craig J.; Corey, Eva; Kelly, Kathleen

On the nature of hydrogen bonding in the H2S dimer

NATURE COMMUNICATIONS

IF15.7

2024-11-05

OAAI

Jaeger, Svenja; Khatri, Jai; Meyer, Philipp; Henkel, Stefan; Schwaab, Gerhard; Nandi, Apurba; Pandey, Priyanka; Barlow, Kayleigh R.; Perkins, Morgan A.; Tschumper, Gregory S.; Bowman, Joel M.; van der Avoird, Ad; Havenith, Martina

DFT-Based Permutationally Invariant Polynomial Potentials Capture the Twists and Turns of C14H30

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-10-21

OAAI

Qu, Chen; Houston, Paul L.; Allison, Thomas; Schneider, Barry I.; Bowman, Joel M.

Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-10-03

OAAI

Nandi, Apurba; Pandey, Priyanka; Houston, Paul L.; Qu, Chen; Yu, Qi; Conte, Riccardo; Tkatchenko, Alexandre; Bowman, Joel M.

Fully Quantum Simulation of Polaritonic Vibrational Spectra of Large Cavity-Molecule System

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-05-08

PREAI

Yu, Qi; Bowman, Joel M.

No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-09

OAAI

Houston, Paul L.; Qu, Chen; Yu, Qi; Pandey, Priyanka; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.

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

IF5.5

2024-02-21

PREAI

Houston, Paul L.; Qu, Chen; Yu, Qi; Pandey, Priyanka; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.; Kukolich, Stephen G.

Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-08-16

OAAI

Qu, Chen; Houston, Paul L.; Yu, Qi; Conte, Riccardo; Pandey, Priyanka; Nandi, Apurba; Bowman, Joel M.

Manipulating hydrogen bond dissociation rates and mechanisms in water dimer through vibrational strong coupling

NATURE COMMUNICATIONS

IF15.7

2023-06-14

OAAI

Yu, Qi; Bowman, Joel M.

Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-05-30

OAAI

Qu, Chen; Yu, Qi; Houston, Paul L.; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.

Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a ?-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-04-20

OAAI

Nandi, Apurba; Laude, Gabriel; Khire, Subodh S.; Gurav, Nalini D.; Qu, Chen; Conte, Riccardo; Yu, Qi; Li, Shuhang; Houston, Paul L.; Gadre, Shridhar R.; Richardson, Jeremy O.; Evangelista, Francesco A.; Bowman, Joel M.

研究方向