Publications by authors named "Christine Isborn"

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Optically induced charge separation at the naphthalenediimide-phenothiazine interface.
Thomas Trepl, Renan G de Assis, Christine M Isborn, Thiago B de Queiroz, Stephan Kümmel

Phys Chem Chem Phys· November 2025

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Two-Dimensional Electronic Spectroscopy in the Condensed Phase Using Equivariant Transformer Accelerated Molecular Dynamics Simulations.
Joseph Kelly, Frank Hu, Arianna Damiani, Michael S Chen, Andrew Snider, Christine M Isborn

J Phys Chem Lett· June 2025

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Quantitative measurement of cation-mediated adhesion of DNA to anionic surfaces.
Xian Hao, Qufei Gu, Christine Isborn, Jesus Rodriguez Vasquez, Makenzie Provorse Long

Soft Matter· September 2024

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GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics.
Christopher A Myers, Ken Miyazaki, Thomas Trepl, Christine M Isborn, Nandini Ananth

J Chem Phys· August 2024

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Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck-Condon methods.
Ajay Khanna, Sapana V Shedge, Tim J Zuehlsdorff, Christine M Isborn

J Chem Phys· July 2024

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Axial H-Bonding Solvent Controls Inhomogeneous Spectral Broadening, While Peripheral H-Bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol.
Christopher A Myers, Shao-Yu Lu, Sapana Shedge, Arthur Pyuskulyan, Katherine Donahoe, Christine M Isborn

J Phys Chem B· June 2024

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Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure.
Michael S Chen, Yuezhi Mao, Andrew Snider, Prachi Gupta, Andrés Montoya-Castillo, Christine M Isborn

J Phys Chem Lett· July 2023

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Size-dependent errors in real-time electron density propagation.
Karnamohit Ranka, Christine M Isborn

J Chem Phys· May 2023

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Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning.
Bowen Han, Christine M Isborn, Liang Shi

J Phys Chem Lett· April 2023

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Molecular polariton electroabsorption.
Chiao-Yu Cheng, Nina Krainova, Alyssa N Brigeman, Ajay Khanna, Sapana Shedge, Christine Isborn

Nat Commun· December 2022

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Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue.
Ali Abou Taka, Shao-Yu Lu, Duncan Gowland, Tim J Zuehlsdorff, Hector H Corzo, Christine M Isborn

J Chem Theory Comput· May 2022

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The Influence of Electronic Polarization on Nonlinear Optical Spectroscopy.
Shao-Yu Lu, Tim J Zuehlsdorff, Hanbo Hong, Vincent P Aguirre, Christine M Isborn

J Phys Chem B· November 2021

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Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue.
Angus J Dunnett, Duncan Gowland, Christine M Isborn, Alex W Chin, Tim J Zuehlsdorff

J Chem Phys· October 2021

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Vibronic and Environmental Effects in Simulations of Optical Spectroscopy.
Tim J Zuehlsdorff, Sapana V Shedge, Shao-Yu Lu, Hanbo Hong, Vincent P Aguirre, Christine M Isborn

Annu Rev Phys Chem· April 2021

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Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models.
Bowen Han, Christine M Isborn, Liang Shi

J Chem Theory Comput· February 2021

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Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy.
Sapana V Shedge, Tim J Zuehlsdorff, Ajay Khanna, Stacey Conley, Christine M Isborn

J Chem Phys· February 2021

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Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments.
Michael S Chen, Tim J Zuehlsdorff, Tobias Morawietz, Christine M Isborn, Thomas E Markland

J Phys Chem Lett· September 2020

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Real-Time Time-Dependent Electronic Structure Theory.
Xiaosong Li, Niranjan Govind, Christine Isborn, A Eugene DePrince, Kenneth Lopata

Chem Rev· September 2020

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Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions.
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, Christine M Isborn

J Chem Phys· July 2020

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The link between electrolytes and metals.
Christine M Isborn

Science· June 2020

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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids.
Aleksey A Kocherzhenko, Sapana V Shedge, Pauline F Germaux, Mohammad Heidarian, Christine M Isborn

J Vis Exp· May 2020

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Molecular dynamics simulations of alkaline earth metal ions binding to DNA reveal ion size and hydration effects.
Makenzie Provorse Long, Serra Alland, Madison E Martin, Christine M Isborn

Phys Chem Chem Phys· March 2020

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Influence of Electronic Polarization on the Spectral Density.
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, Christine M Isborn

J Phys Chem B· January 2020

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Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.
Tim J Zuehlsdorff, Andrés Montoya-Castillo, Joseph A Napoli, Thomas E Markland, Christine M Isborn

J Chem Phys· August 2019

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Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores.
Sapana V Shedge, Tim J Zuehlsdorff, Michael J Servis, Aurora E Clark, Christine M Isborn

J Phys Chem A· July 2019

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