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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A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation
Schnack-Petersen, A. K., Pápai, M., Coriani, S. & Møller, K. B., 2023, In: Structural Dynamics. 10, 3, 15 p., 034102.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile16 Downloads (Pure) -
Characterization of Serrulatane Diterpenoids in Eremophila phyllopoda subsp. phyllopoda by Triple High-Resolution α-Glucosidase/PTP1B/Radical Scavenging Profiling, NMR Spectroscopy, DFT-GIAO NMR, and Electronic Circular Dichroism Calculations
Liang, C., Ndi, C., Kjaerulff, L., Semple, S., Buirchell, B., Coriani, S., Møller, B. L. & Staerk, D., 2023, In: Journal of Natural Products. 86, 4, p. 694–709Research output: Contribution to journal › Journal article › Research › peer-review
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Description of the KLL Auger–Meitner decay spectra of argon following primary and satellite core-ionized states
Pedersen, J., Decleva, P., Coriani, S. & Tenorio, B. N. C., 2023, In: Journal of Chemical Physics. 159, 12 p., 024121.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile14 Downloads (Pure) -
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory
Andersen, J. H., Coriani, S. & Hättig, C., 2023, In: Journal of Chemical Theory and Computation. 19, p. 5977−5987Research output: Contribution to journal › Journal article › Research › peer-review
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Identification of new PTP1B-inhibiting decipiene diterpenoid esters from Eremophila clarkei by high-resolution PTP1B inhibition profiling, enzyme kinetics analysis, and molecular docking
Liang, C., Zang, J., Ndi, C., Semple, S. J., Buirchell, B., Coriani, S., Møller, B. L. & Staerk, D., 2023, In: Bioorganic Chemistry. 139, 15 p., 106744.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile12 Downloads (Pure)
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Focused Simulations of Electronic Structure in Composite Phases
Schaltz, K. F., Eriksen, J. J. & Coriani, S.
01/11/2023 → 31/10/2026
Project: PhD
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Hybrid Quantum Chemistry for Hybrid Quantum Computers
von Buchwald, T. J., Coriani, S., Møller, K. B. & Sauer, S.
15/08/2023 → 14/08/2026
Project: PhD
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Ultrafast Mapping of Solar Energy Conversion
Jensen, B. K., Møller, K. B., Coriani, S. & Nielsen, M. M.
01/12/2022 → 30/11/2025
Project: PhD
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Novel response theory methods for sophisticatedlight-matter interactions
Pedersen, J., Coriani, S. & Møller, K. B.
15/09/2022 → 14/09/2025
Project: PhD
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Mean-Field Decompositions of Solid-State Systems
Zamok, L., Eriksen, J. J. & Coriani, S.
15/10/2021 → 14/10/2024
Project: PhD
Activities
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André Severo Pereira Gomes
Sonia Coriani (Host)
2 Jun 2022 → 3 Jun 2022Activity: Hosting a guest lecturer
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12th Triennial Congress of the World Association of Theoretical and Computational Chemists
Sonia Coriani (Participant)
3 Jul 2022 → 8 Jul 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
Sonia Coriani (Invited speaker)
22 Aug 2022Activity: Talks and presentations › Conference presentations
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2020 Operators, Perturbations, Electrons, Relativity, and Multi-Scale Applications
Sonia Coriani (Participant)
31 Aug 2022 → 3 Sept 2022Activity: Attending an event › Participating in or organising a conference