Research output per year
Research output per year
Personal profile
Other information
Language Skills:English
Danish
Italian (mother tongue)
Research areas
Development of theoretical models and scientific software for molecular property calculations -- both highly correlated electronic structure methods, in particular based on a Coupled Cluster (CC) ansatz, and computationally cheaper approaches, with emphasis on linear-scaling approaches within
time-dependent Density-Functional Theory (TDDFT) -- and their applications within a broad range of contexts related to modern spectroscopic experiments.
I have especially made seminal contributions to:
• Development of new coupled cluster methodologies to compute core-level spectra (core-valence separation, near-edge absorption fine structure,
core-ionization potentials and photoelectron spectra), and UV photoionization cross section profiles
• Development of Damped Response Theory, especially for the coupled cluster wave-function ansatz
• Development of (gauge-invariant) response-based CC and TDDFT approaches for Magnetic Circular Dichroism, Nuclear Spin Circular Dichroism, Magneto-Chiral Circular Dichroism, Circular Polarized Phoshorescence, Vibrational Circular Dichroism, Raman Scattering, Jones Birefringence
Education/Academic qualification
PhD studies in Theoretical Chemistry, Aarhus University (Denmark)
1999 → 2000
Master Degree in Chemistry , Università degli Studi di Modena (Italy)
1987 → 1993
External positions
COFUND senior fellow, Aarhus University (Denmark)
2015 → 2016
Associate Professor, University of Trieste (Italy)
2014 → 2017
IEF-Marie Curie Fellow, Aarhus University (Denmark)
2010 → 2012
Adjunct Associate Professor, University of Oslo
2007 → 2012
Tenured Research Scientist, University of Trieste (Italy)
1999 → 2014
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Collaborations and top research areas from the last five years
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Publications
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Electronic dynamics created at conical intersections and its dephasing in aqueous solution
Chang, Y. P., Balciunas, T., Yin, Z., Sapunar, M., Tenorio, B. N. C., Paul, A. C., Tsuru, S., Koch, H., Wolf, J. P., Coriani, S. & Wörner, H. J., 2025, (Accepted/In press) In: Nature Physics. 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open Access -
Self-consistent Quantum Linear Response with a Polarizable Embedding Environment
Reinholdt, P., Kjellgren, E., Ziems, K. M., Coriani, S., Sauer, S. P. A. & Kongsted, J., 2025, In: Journal of Physical Chemistry A. 129, p. 1504−1515Research output: Contribution to journal › Journal article › Research › peer-review
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Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers
Ziems, K. M., Kjellgren, E. R., Sauer, S. P. A., Kongsted, J. & Coriani, S., 2025, In: Chemical Science. 16, p. 4456–4468Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile36 Downloads (Orbit) -
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics
Tenorio, B. N. C., Pedersen, J., Barbatti, M., Decleva, P. & Coriani, S., 2024, In: The Journal of Physical Chemistry Part A. 128, 1, p. 107-117 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile22 Downloads (Orbit) -
Divergences in classical and quantum linear response and equation of motion formulations
Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Sauer, S. P. A., Coriani, S. & Kongsted, J., 2024, In: Journal of Chemical Physics. 161, 12, 8 p., 124112.Research output: Contribution to journal › Journal article › Research › peer-review
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Focused Simulations of Electronic Structure in Composite Phases
Schaltz, K. F. (PhD Student), Eriksen, J. J. (Main Supervisor) & Coriani, S. (Supervisor)
01/11/2023 → 31/10/2026
Project: PhD
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Hybrid Quantum Chemistry for Hybrid Quantum Computers
von Buchwald, T. J. (PhD Student), Coriani, S. (Main Supervisor), Møller, K. B. (Supervisor) & Sauer, S. (Supervisor)
15/08/2023 → 14/08/2026
Project: PhD
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Ultrafast Mapping of Solar Energy Conversion
Jensen, B. K. (PhD Student), Møller, K. B. (Main Supervisor), Coriani, S. (Supervisor) & Nielsen, M. M. (Supervisor)
01/12/2022 → 30/11/2025
Project: PhD
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Novel response theory methods for sophisticatedlight-matter interactions
Pedersen, J. (PhD Student), Coriani, S. (Main Supervisor) & Møller, K. B. (Supervisor)
15/09/2022 → 31/12/2025
Project: PhD
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Decomposed Machine Learning in Quantum Chemistry
Kjeldal, F. Ø. (PhD Student), Eriksen, J. J. (Main Supervisor), Coriani, S. (Supervisor), Jensen, J. H. (Examiner) & Rupp, M. (Examiner)
15/10/2021 → 11/02/2025
Project: PhD
Activities
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Challenges in describing spectral signatures of multielectronic processes (and) involving the continuum
Coriani, S. (Invited speaker)
7 Jul 2022Activity: Talks and presentations › Conference presentations
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Challenges in describing spectral signatures of multi-electronic processes (and) involving the continuum
Coriani, S. (Invited speaker)
22 Aug 2022Activity: Talks and presentations › Conference presentations
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ACS Fall 2022
Coriani, S. (Participant)
21 Aug 2022 → 25 Aug 2022Activity: Attending an event › Participating in or organising a conference
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2020 Operators, Perturbations, Electrons, Relativity, and Multi-Scale Applications
Coriani, S. (Participant)
31 Aug 2022 → 3 Sept 2022Activity: Attending an event › Participating in or organising a conference