Jer-lai L. Kuo

No. 1 Roosevelt Road
Da'an, TPQ 10617, Taiwan

Last Updated: 09/26/2026

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Found 109 publications

Conformational landscapes of alkali metalated N-acetylhexosamines: insights from machine learning-assisted ab initio methods and validated by cryogenic infrared photodissociation spectroscopy.

Conformational landscapes of alkali metalated N-acetylhexosamines: insights from machine learning-assisted ab initio methods and validated by cryogenic infrared photodissociation spectroscopy.

Journal: Physical chemistry chemical physics : PCCP

Published: August 12, 2026

Structure of poly-glycine, poly-alanine, and poly-sarcosine: a neural network assisted first-principles study on the influence of methylation and chain length.

Structure of poly-glycine, poly-alanine, and poly-sarcosine: a neural network assisted first-principles study on the influence of methylation and chain length.

Journal: Physical chemistry chemical physics : PCCP

Published: August 10, 2026

Near-infrared spectroscopy of micro-solvated protonated methanol.

Near-infrared spectroscopy of micro-solvated protonated methanol.

Journal: Physical chemistry chemical physics : PCCP

Published: April 28, 2026

A Deep-Learning Neural Network Potential Accelerated First-Principles Study on the Structural Changes Modulated by Methylation and Solvation in 27 Protonated Tripeptides.

A Deep-Learning Neural Network Potential Accelerated First-Principles Study on the Structural Changes Modulated by Methylation and Solvation in 27 Protonated Tripeptides.

Journal: The journal of physical chemistry. A

Published: November 18, 2025

Theoretical Analysis of the n1ν1 + ν3 Combination Bands in Hydrogen Bihalide Anions, XHX-, X = {F, Cl, Br, and I}.

Theoretical Analysis of the n1ν1 + ν3 Combination Bands in Hydrogen Bihalide Anions, XHX-, X = {F, Cl, Br, and I}.

Journal: The journal of physical chemistry. A

Published: November 14, 2025

Conformational analysis of protonated N-acetyl hexosamines: unexpected methylation effects from first-principles and machine learning.

Conformational analysis of protonated N-acetyl hexosamines: unexpected methylation effects from first-principles and machine learning.

Journal: Physical chemistry chemical physics : PCCP

Published: September 15, 2025

Linear-cyclic isomer competition in protonated ethanol-methanol clusters probed by infrared spectroscopy and deep-learning structural and dynamical simulations.

Linear-cyclic isomer competition in protonated ethanol-methanol clusters probed by infrared spectroscopy and deep-learning structural and dynamical simulations.

Journal: Physical chemistry chemical physics : PCCP

Published: August 15, 2025

Probing the Ionic Hydrogen Bond in meta-Nitrophenolate-Water Complex Anions by Cryogenic Photodissociation Spectroscopy.

Probing the Ionic Hydrogen Bond in meta-Nitrophenolate-Water Complex Anions by Cryogenic Photodissociation Spectroscopy.

Journal: The journal of physical chemistry. A

Published: August 11, 2025

Precision measurements of absolute line strengths of the HO2 radical in the ν1 and ν2 vibrational bands.

Precision measurements of absolute line strengths of the HO2 radical in the ν1 and ν2 vibrational bands.

Journal: Physical chemistry chemical physics : PCCP

Published: July 16, 2025

Structural insights into nitrile-methanol hydrogen-bonded complexes based on mass-selected infrared spectroscopy and theoretical calculations.

Structural insights into nitrile-methanol hydrogen-bonded complexes based on mass-selected infrared spectroscopy and theoretical calculations.

Journal: The Journal of chemical physics

Published: July 01, 2025

Deep-learning-enhanced exploration of peptide conformational space with high fidelity using hydrogen bond information.

Deep-learning-enhanced exploration of peptide conformational space with high fidelity using hydrogen bond information.

Journal: Physical chemistry chemical physics : PCCP

Published: June 25, 2025

Unraveling the low-energy conformers of neutral and charged mono- and di-saccharides with first-principles accuracy assisted by neural network potentials.

Unraveling the low-energy conformers of neutral and charged mono- and di-saccharides with first-principles accuracy assisted by neural network potentials.

Journal: Physical chemistry chemical physics : PCCP

Published: May 22, 2025

Showing 1-12 of 109

Last Updated: 09/26/2026