A. Marco Saitta

Centre National de la Recherche Scientifique — France

Earth and Planetary Sciences · Physical Sciences

46h-index7.5kcitations164works3.52yr avg
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Research Topics

High-pressure geophysics and materials(31), Spectroscopy and Quantum Chemical Studies(30), Material Dynamics and Properties(25), Origins and Evolution of Life(22), Advanced Chemical Physics Studies(18)

Publications164 total

Dual quantum locking: Dynamic coupling of H <sub>2</sub> and H <sub>2</sub> O sublattices in hydrogen-filled ice
Proceedings of the National Academy of Sciences·2026Open Access
Adenine Formation in Prebiotic Conditions from <i>Ab Initio</i> Machine Learning Calculations
ACS Earth and Space Chemistry·2026Open Access
Reproducible container solutions for codes and workflows in materials science
arXiv (Cornell University)·2025Open Access
Electrode Flexibility Enhances Electrolyte Dynamics during Supercapacitor Charging
ACS Nano·2025· 4 cited
FD4QC: Application of Classical and Quantum-Hybrid Machine Learning for Financial Fraud Detection A Technical Report
arXiv (Cornell University)·2025Open Access
Electrode flexibility enhances electrolyte dynamics during supercapacitor charging
2025Open Access
Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
The Journal of Chemical Physics·2025· 2 citedOpen Access
Efficient machine learning approach for accurate free-energy profiles and kinetic rates
Physical review. E·2024· 2 cited
A New Route to the Prebiotic Synthesis of Glycine via <i>Ab Initio</i>-Based Machine Learning Calculations
The Journal of Physical Chemistry Letters·2024· 8 cited
Correction to “Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic Chemistry”
The Journal of Physical Chemistry Letters·2024· 2 citedOpen Access
Data-Driven Path Collective Variables
Journal of Chemical Theory and Computation·2024· 20 citedOpen Access
Data-driven path collective variables
arXiv (Cornell University)·2023Open Access
Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer
Nature Communications·2023· 14 citedOpen Access
Thermal dependence of the hydrated proton and optimal proton transfer
arXiv (Cornell University)·2023Open Access
Atomistic Computer Simulation
Encyclopedia of Astrobiology·2023
Free energy calculations and unbiased molecular dynamics targeting the liquid–liquid transition in water no man’s land
The Journal of Chemical Physics·2022· 6 cited
Critical Assessment of Data-Driven versus Heuristic Reaction Coordinates in Solution Chemistry
The Journal of Physical Chemistry A·2022· 8 cited
Combining Machine Learning Approaches and Accurate <i>Ab Initio</i> Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution
Journal of Chemical Theory and Computation·2022· 27 citedOpen Access
X-ray diffraction study of phase transformation dynamics of Fe and Fe-Si alloys along the shock Hugoniot using an x-ray free electron laser
Physical review. B./Physical review. B·2022· 6 citedOpen Access
Chemical Decomposition of the TFSI Anion under Aqueous Basic Conditions
PRX Energy·2022· 16 citedOpen Access
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Frequent Co-authors

Francesco Mauri(11), Michele Lazzeri(9), Stefan Klotz(8), Franz Saija(7), Fabio Pietrucci(7), Ari P. Seitsonen(4), F. Decremps(4), A. Polian(4), F. Datchi(4), Etienne Balan(4), Paolo V. Giaquinta(4), Th. Strässle(4), L. E. Bove(4), Giuseppe Cassone(4), Julio Pellicer‐Porres(3), J. C. Chervin(3), G. Ferlat(3), B. Canny(3), François Guyot(3), Fabio Finocchi(3)