Publications per year
Publications 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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Publications
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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
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Eremane, viscidane and isozizaene diterpenoids from the leaves of Eremophila rigida and their absolute configurations
Liang, C., Ndi, C., Semple, S. J., Buirchell, B., Coriani, S., Møller, B. L. & Staerk, D., 2024, In: Phytochemistry. 219, 16 p., 113972.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile26 Downloads (Pure) -
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures
Yuan, X., Halbert, L., Pototschnig, J. V., Papadopoulos, A., Coriani, S., Visscher, L. & Pereira Gomes, A. S., 2024, In: Journal of Chemical Theory and Computation. 20, p. 677-694Research output: Contribution to journal › Journal article › Research › peer-review
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Genome-Driven Discovery of Hygrocins in Streptomyces rapamycinicus
Mahmoud Mohamed, M. M., Yang, Z., Lum, K. Y., Peschel, G., Rosenbaum, M. A., Weber, T., Coriani, S., Gotfredsen, C. H. & Ding, L., 2024, In: Journal of Natural Products. 87, 5, p. 1321-1329 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism
Andersen, J. H., Hättig, C., Coriani, S. & Štěpánek, P., 2024, In: Physical Chemistry Chemical Physics. 26, p. 9179–9196Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile37 Downloads (Pure)
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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 → 14/09/2025
Project: PhD
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Mean-Field Decompositions of Solid-State Systems
Zamok, L. (PhD Student), Eriksen, J. J. (Main Supervisor) & Coriani, S. (Supervisor)
15/10/2021 → 14/10/2024
Project: PhD
Activities
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12th Triennial Congress of the World Association of Theoretical and Computational Chemists
Coriani, S. (Participant)
3 Jul 2022 → 8 Jul 2022Activity: Attending an event › Participating in or organising a conference
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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
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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