Mickaël G. Delcey

Centre National de la Recherche Scientifique — France

Physics and Astronomy · Physical Sciences

22h-index4.9kcitations74works1.92yr avg
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Research Topics

Advanced Chemical Physics Studies(26), Spectroscopy and Quantum Chemical Studies(20), X-ray Spectroscopy and Fluorescence Analysis(13), Photochemistry and Electron Transfer Studies(11), Machine Learning in Materials Science(6)

Publications74 total

Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2025Open Access
Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory
2025· 1 cited
Universal Framework for Multiconfigurational DFT
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Anomalous diffusion in vibration-induced spreading of a granular heap
Europhysics Letters (EPL)·2025
Perspective: Multi-configurational methods in bio-inorganic chemistry
arXiv (Cornell University)·2024Open Access
Identification of Settling Velocity with Physics Informed Neural Networks For Sediment Laden Flows
arXiv (Cornell University)·2024· 1 citedOpen Access
X-ray chronoscopy: a window into the world of attosecond dynamics in matter
2024
Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale
Journal of Chemical Theory and Computation·2024· 7 citedOpen Access
Perspective: multi-configurational methods in bio-inorganic chemistry
Physical Chemistry Chemical Physics·2024· 6 citedOpen Access
Apports de l’Intelligence Artificielle pour les écoulements gravitaires
theses.fr (ABES)·2023Open Access
Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think
The Journal of Physical Chemistry A·2023· 9 citedOpen Access
Complex Linear Response Functions for a Multiconfigurational Self-Consistent Field Wave Function in a High Performance Computing Environment
Journal of Chemical Theory and Computation·2023· 5 citedOpen Access
Quantitative Assessment of PINN Inference on Experimental Data for Gravity Currents Flows
arXiv (Cornell University)·2023Open Access
<scp>MultiPsi</scp>: A python‐driven <scp>MCSCF</scp> program for photochemistry and spectroscopy simulations on modern <scp>HPC</scp> environments
Wiley Interdisciplinary Reviews Computational Molecular Science·2023· 12 citedOpen Access
The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation·2023· 290 citedOpen Access
Complete Active Space Methods for NISQ Devices: The Importance of Canonical Orbital Optimization for Accuracy and Noise Resilience
Journal of Chemical Theory and Computation·2023· 22 citedOpen Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 1 citedOpen Access
eChem: A Notebook Exploration of Quantum Chemistry
Journal of Chemical Education·2023· 18 citedOpen Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 15 citedOpen Access
eChem: A notebook exploration of quantum chemistry
2023· 1 citedOpen Access
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Frequent Co-authors

Roland Lindh(23), Marcus Lundberg(21), Francesco Aquilante(14), Meiyuan Guo(12), Ignacio Fdez. Galván(11), Lasse Kragh Sørensen(10), Markus Reiher(9), Morgane Vacher(9), Leticia González(9), Thomas Bondo Pedersen(8), Valera Veryazov(8), Jochen Autschbach(7), Liviu F. Chibotaru(7), Igor Schapiro(7), Leon Freitag(7), Erik Källman(7), Quan Manh Phung(7), Rebecca K. Carlson(6), Nicolas Ferré(6), Laura Gagliardi(6)