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Paul L. Houston

cornell university

55H指数
303论文数
1.0W被引数
收录论文 56
发表时间
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Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin基于机器学习辅助的模选择双能级振动微扰理论用于苯甲酸和阿司匹林的光谱研究
errJournal of Physical Chemistry A
IF2.8
err2026-07-16
err0
PREAI
errVincenzo Barone; Joel Bowman; Luigi Crisci; Paul Houston; Federico Lazzari; Marco Mendolicchio; Chen Qu
err分享
err收藏
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
errThe Journal of Physical Chemistry Letters
IF0
err2026-06-04
err0
errOAAI
errSaikiran Kotaru; Chen Qu; Apurba Nandi; Paul L. Houston; Joel M. Bowman
err分享
err收藏
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。
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-03
err0
errOAAI
errChen Qu; Apurba Nandi; Paul L. Houston; Joel M. Bowman
err分享
err收藏
13-HODE and 13-HOTrE, Present in the Traditional Chinese Medicine Herbal Extract di gu pi, Selectively Inhibit Platelet Function
errPharmaceuticals
IF4.8
err2026-02-03
err0
errOAAI
errDylan Simpson; Eliana Botta; Pooja Yalavarthi; Yein Ji; Krista Goerger; Paul Houston; Sky Kareht; Drewv Desai; Daniela Bolaños; Michael Holinstat
err分享
err收藏
New Permutationally Invariant Polynomial Potential Energy Surfaces for H5O2+with Fast Analytical Gradients Calculated Using Reverse Differentiation
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2026-01-01
err0
PREAI
errKotaru, Saikiran; Qu, Chen; Houston, Paul L.; Yu, Qi; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.
err分享
err收藏
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
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-11-01
err0
PREAI
errQu, Chen; Nandi, Apurba; Houston, Paul L.; Yu, Qi; Conte, Riccardo; Bowman, Joel M.
err分享
err收藏
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
errThe Journal of Physical Chemistry A
IF0
err2025-07-24
err0
errOAAI
errRuitao Ma; Chen Qu; Paul L. Houston; Riccardo Conte; Apurba Nandi; Joel M. Bowman; Qi Yu
err分享
err收藏
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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-13
err0
PREAI
errBowman, Joel M.; Qu, Chen; Conte, Riccardo; Nandi, Apurba; Houston, Paul L.; Yu, Qi
err分享
err收藏
Quantum Nature of Ubiquitous Vibrational Features Revealed for Ethylene Glycol乙烯醇的普遍振动特征的量子本质得以揭示
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-07
err1
errOAAI
errNandi, Apurba; Conte, Riccardo; Pandey, Priyanka; Houston, Paul L.; Qu, Chen; Yu, Qi
err分享
err收藏
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
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2025-04-14
err0
PREAI
errYu, Qi; Ma, Ruitao; Qu, Chen; Conte, Riccardo; Nandi, Apurba; Pandey, Priyanka; Houston, Paul L.; Zhang, Dong H.; Bowman, Joel M.
err分享
err收藏
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-27
err2
errOAAI
errQu, Chen; Houston, Paul L.; Allison, Thomas; Bowman, Joel M.
err分享
err收藏
DFT-Based Permutationally Invariant Polynomial Potentials Capture the Twists and Turns of C14H30
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-21
err2
errOAAI
errQu, Chen; Houston, Paul L.; Allison, Thomas; Schneider, Barry I.; Bowman, Joel M.
err分享
err收藏
Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-03
err0
errOAAI
errNandi, Apurba; Pandey, Priyanka; Houston, Paul L.; Qu, Chen; Yu, Qi; Conte, Riccardo; Tkatchenko, Alexandre; Bowman, Joel M.
err分享
err收藏
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-09
err6
errOAAI
errHouston, Paul L.; Qu, Chen; Yu, Qi; Pandey, Priyanka; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.
err分享
err收藏
Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-21
err3
PREAI
errHouston, Paul L.; Qu, Chen; Yu, Qi; Pandey, Priyanka; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.; Kukolich, Stephen G.
err分享
err收藏
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-16
err5
errOAAI
errQu, Chen; Houston, Paul L.; Yu, Qi; Conte, Riccardo; Pandey, Priyanka; Nandi, Apurba; Bowman, Joel M.
err分享
err收藏
Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-30
err11
errOAAI
errQu, Chen; Yu, Qi; Houston, Paul L.; Conte, Riccardo; Nandi, Apurba; Bowman, Joel M.
err分享
err收藏
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a ?-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-04-20
err13
errOAAI
errNandi, 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.
err分享
err收藏
PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-24
err26
errOAAI
errHouston, Paul L. L.; Qu, Chen; Yu, Qi; Conte, Riccardo; Nandi, Apurba; Li, Jeffrey K. K.; Bowman, Joel M. M.
err分享
err收藏
?-Machine Learned Potential Energy Surfaces and Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-17
err44
errOAAI
errBowman, Joel M.; Qu, Chen; Conte, Riccardo; Nandi, Apurba; Houston, Paul L.; Yu, Qi
err分享
err收藏

研究方向

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合作学者
合作期刊
H
Héctor D. Abruña
H 指数: 123 · 论文数: 766
G
George G. Malliaras
H 指数: 114 · 论文数: 629
V
Vincenzo Barone
H 指数: 106 · 论文数: 1.2K
J
James C. Sacchettini
H 指数: 94 · 论文数: 384
S
S. Cusack
H 指数: 92 · 论文数: 524
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