Gonzalo Díaz Mirón

The Abdus Salam International Centre for Theoretical Physics (ICTP) — Italy

Physics and Astronomy · Physical Sciences

6h-index184citations32works1.92yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(9), Photoreceptor and optogenetics research(8), Luminescence and Fluorescent Materials(7), Photochemistry and Electron Transfer Studies(4), Photosynthetic Processes and Mechanisms(3)

Publications32 total

Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State <scp>l</scp> -Lysine
The Journal of Physical Chemistry B·2025
Defects at play: Shaping the photophysics and photochemistry of ice
Proceedings of the National Academy of Sciences·2025
Deconstructing the origins of interfacial catalysis: Why electric fields are inseparable from solvation
The Journal of Chemical Physics·2025· 1 cited
Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State L-Lysine
arXiv (Cornell University)·2025Open Access
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
The Journal of Physical Chemistry A·2025· 6 citedOpen Access
Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence
Angewandte Chemie International Edition·2025· 5 citedOpen Access
Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence
Angewandte Chemie·2025
Data-Driven Discovery of the Origins of UV Absorption in the Alpha-3C Protein
The Journal of Physical Chemistry B·2025
Turning on the Light: Polymorphism-Induced Photoluminescence in Cysteine Crystals
arXiv (Cornell University)·2025Open Access
Context-Adaptive Nanotopology in Peptide Crystals
2025· 2 citedOpen Access
Peptide Crystal Hydrates with Context-Adaptive Topology
2024Open Access
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
Journal of Chemical Theory and Computation·2024· 6 cited
Data-Driven Discovery of the Origins of UV Absorption in Alpha-3C Protein
arXiv (Cornell University)·2024Open Access
Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
arXiv (Cornell University)·2024Open Access
Aqueous solution chemistry<i>in silico</i>and the role of data-driven approaches
Chemical Physics Reviews·2024· 4 citedOpen Access
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
Journal of Chemical Theory and Computation·2024· 11 cited
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
arXiv (Cornell University)·2024Open Access
Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
arXiv (Cornell University)·2024Open Access
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
Nature Communications·2023· 29 citedOpen Access
Supporting Material for The Carbonyl-Lock Mechanism Underlying Non-Aromatic Fluorescence in Biological Matter
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
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Frequent Co-authors

Ali Hassanali(24), Marta Monti(13), Mariano C. González Lebrero(11), Uriel N. Morzan(10), Debarshi Banerjee(8), Luca Grisanti(7), Ralph Gebauer(6), Gabriele S. Kaminski Schierle(6), Martina Stella(6), Debarshi Banerjee(6), Carlos R. Lien-Medrano(5), Michael A. Sentef(5), Muhammad Nawaz Qaisrani(4), Michael T. Ruggiero(4), Saul T. E. Jones(4), Emiliano Poli(4), Philippa J. Woodhams(4), Elyse M. Kleist(4), J. Axel Zeitler(4), Dan Credgington(4)