Martina Stella

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

Physics and Astronomy · Physical Sciences

10h-index824citations25works1.02yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Spectroscopy and Quantum Chemical Studies(5), Inorganic Fluorides and Related Compounds(4), Protein Structure and Dynamics(3), Machine Learning in Materials Science(3)

Publications25 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
Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State L-Lysine
arXiv (Cornell University)·2025Open Access
Quantum Computing for Photosensitizer Design in Photodynamic Therapy
Annual Review of Biomedical Data Science·2025Open Access
Polyhydroxy Fullerene, Fullerol, Fullerenol or Polyoxy Fullerene? A Combined Experimental and Theoretical Interrogation
2024· 1 citedOpen Access
Aqueous solution chemistry<i>in silico</i>and the role of data-driven approaches
Chemical Physics Reviews·2024· 4 citedOpen Access
Exploratory data science on supercomputers for quantum mechanical calculations
Electronic Structure·2024· 2 citedOpen Access
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
arXiv (Cornell University)·2024Open Access
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
Nature Communications·2023· 29 citedOpen Access
Exploratory Data Science on Supercomputers for Quantum Mechanical Calculations
Bristol Research (University of Bristol)·2023Open Access
The “Carbonyl-Lock” Mechanism Underlying Non-Aromatic Fluorescence in Biological Matter
2023· 2 citedOpen Access
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Journal of Chemical Theory and Computation·2022· 9 citedOpen Access
Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity
Wiley Interdisciplinary Reviews Computational Molecular Science·2021· 36 cited
Effects of intercalated water on the lubricity of sliding layers under load: a theoretical investigation on MoS<sub>2</sub>
2D Materials·2021· 20 citedOpen Access
Fast Molecular Compression by a Hyperthermal Collision Gives Bond-Selective Mechanochemistry
Physical Review Letters·2021· 31 citedOpen Access
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
The Journal of Chemical Physics·2020· 108 citedOpen Access
Towards a systematic multi-scale method for excitations in molecular materials in the BigDFT code
Bulletin of the American Physical Society·2020
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory
The Journal of Physical Chemistry Letters·2020· 15 cited
Projection Mapping: A New Symbolic Form?
2020· 3 cited
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory
2020Open Access
A Projector-Embedding Approach for Multiscale Coupled-Cluster Calculations Applied to Citrate Synthase
Journal of Chemical Theory and Computation·2016· 74 citedOpen Access
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Frequent Co-authors

Laura E. Ratcliff(8), Luigi Genovese(6), Gonzalo Díaz Mirón(6), Ali Hassanali(6), Frederick R. Manby(5), William Harbutt Dawson(4), Takahito Nakajima(4), Marta Monti(4), Thomas F. Miller(3), Simon J. Bennie(3), Álex Rodríguez(3), Uriel N. Morzan(3), Debarshi Banerjee(3), Jason D. Goodpaster(2), Augustin Degomme(2), Jonathan A. Semelak(2), Luca Grisanti(2), Irene Conti(2), Nicola Seriani(2), Nađa Došlić(2)