Cover Image

Defects at Play: Shaping the Photophysics and Photochemistry of Ice

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Monti, Marta, Jin, Yu, Mirón, Gonzalo Díaz, Kundu, Arpan, Govoni, Marco, Galli, Giulia, Hassanali, Ali
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Data-Driven Discovery of the Origins of UV Absorption in Alpha-3C Protein
by: Hozana, Germaine Neza, et al.
Published: (2024)

Quantum Vibronic Effects on the Excitation Energies of the Nitrogen-Vacancy Center in Diamond
by: Kundu, Arpan, et al.
Published: (2024)

Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
by: Di Pino, Solana, et al.
Published: (2025)

Machine learning the non-radiative decay modes in photochemical processes
by: Banerjee, Debarshi, et al.
Published: (2026)

GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
by: Yu, Victor Wen-zhe, et al.
Published: (2024)

Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State L-Lysine
by: Monti, Marta, et al.
Published: (2025)

Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
by: Mirón, Gonzalo Díaz, et al.
Published: (2024)

Designing Optically Addressable Nitrogen-Vacancy Centers in Ultra-Small Nanodiamonds: Insights from First-Principles Calculations
by: Kundu, Arpan, et al.
Published: (2024)

Nuclear Quantum Effects on the Electronic Structure of Water and Ice
by: Berrens, Margaret, et al.
Published: (2024)

Opportunities and Challenges in Unsupervised Learning: The Case of Aqueous Electrolyte Solutions
by: Sormani, Giulia, et al.
Published: (2025)

Turning on the Light: Polymorphism-Induced Photoluminescence in Cysteine Crystals
by: Banerjee, Debarshi, et al.
Published: (2025)

Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
by: Mirón, Gonzalo Díaz, et al.
Published: (2024)

Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
by: Banerjee, Debarshi, et al.
Published: (2024)

The Photochemical Birth of the Hydrated Electron in Liquid Water
by: Mirón, Gonzalo Díaz, et al.
Published: (2025)

The "Simple" Photochemistry of Thiophene
by: Parkes, Michael A., et al.
Published: (2024)

Limitations of MRSF-TDDFT for Applications in Photochemistry
by: Janoš, Jiří, et al.
Published: (2026)

The Joint Solvation Interaction
by: Hassanali, Ali, et al.
Published: (2024)

A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts
by: Marsili, Emanuele, et al.
Published: (2023)

Interfacial Electric Fields in Water Nanodroplets are Weakly Dependent on Curvature and pH
by: Amante, Gabriele, et al.
Published: (2026)

Acid Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger's Cat in Glutamine-Derived Crystals
by: Qaisrani, Muhammad Nawaz, et al.
Published: (2025)

Imaging the Photochemistry of Cyclobutanone using Ultrafast Electron Diffraction: Experimental Results
by: Green, A. E., et al.
Published: (2025)

The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
by: Eng, Julien, et al.
Published: (2024)

Beyond the Virial Expansion: Microscopic Origins of Partial Molar Volumes in LiCl Solutions
by: Lin, Chun-Ting, et al.
Published: (2026)

Causality in Liquid Water as a Hallmark of Emergent Glassy Dynamics
by: Huet, Leon, et al.
Published: (2026)

Towards a robust approach to infer causality in molecular systems satisfying detailed balance
by: Del Tatto, Vittorio, et al.
Published: (2025)

Response to Comment on "Non-Polaritonic Effects in Cavity-Modified Photochemistry": On the Importance of Experimental Details
by: Thomas, Philip A., et al.
Published: (2025)

Formation of the Methyl Cation by Photochemistry in a Protoplanetary Disk
by: Berné, Olivier, et al.
Published: (2024)

Sample-based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
by: Shivpuje, Saurabh, et al.
Published: (2025)

Photochemistry upon charge separation in triphenylamine derivatives from fs to $\mathrmμ$s
by: Brockmann, Hendrik J., et al.
Published: (2024)

Ultrafast Photochemistry and Electron Diffraction for Cyclobutanone in the S2 State: Surface Hopping with Time-Dependent Density Functional Theory
by: Miller, Ericka Roy, et al.
Published: (2024)

Imaging the Photochemistry of the Hydrogen-Bonded Heptazine-Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
by: Pios, Sebastian V., et al.
Published: (2024)

Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials
by: Dutta, Soumajit, et al.
Published: (2025)

Probing aqueous interfaces with spin defects
by: Castillo, Alfonso, et al.
Published: (2025)

Excimer-Suppressed and Oxygen-Tolerant Photophysics of 'Arm-like' Substituted Pyrene Derivatives
by: Li, Wenlong, et al.
Published: (2025)

On the importance of experimental details: A Comment on "Non-Polaritonic Effects in Cavity-Modified Photochemistry"
by: Schwartz, Tal, et al.
Published: (2024)

Collective Electronic Polarization Drives Charge Asymmetry at Oil-Water Interfaces
by: Amante, Gabriele, et al.
Published: (2026)

Simulating the electronic structure of spin defects on quantum computers
by: Huang, Benchen, et al.
Published: (2021)

Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows
by: Huang, Benchen, et al.
Published: (2024)

Reaction Rate Theory for Electric Field Catalysis in Solution
by: Kundu, Sohang, et al.
Published: (2024)

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
by: Li, Jiachen, et al.
Published: (2024)