Sonia Coriani
Danmarks Tekniske Universitet
H-index: 47
Europe-Denmark
Top articles of Sonia Coriani
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism | Physical Chemistry Chemical Physics | Josefine H Andersen Christof Hättig Sonia Coriani Petr Štěpánek | 2024 |
Subspace methods for the simulation of molecular response properties on a quantum computer | arXiv preprint arXiv:2402.12186 | Peter Reinholdt Erik Rosendahl Kjellgren Juliane Holst Fuglsbjerg Karl Michael Ziems Sonia Coriani | 2024/2/19 |
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators | arXiv preprint arXiv:2404.14531 | Dániel Nagy Peter Reinholdt Phillip WK Jensen Erik Rosendahl Kjellgren Karl Michael Ziems | 2024/4/22 |
Observation of electronic coherence created at conical intersections and its decoherence in aqueous solution | arXiv preprint arXiv:2402.10508 | Yi-Ping Chang Tadas Balciunas Zhong Yin Marin Sapunar Bruno NC Tenorio | 2024/2/16 |
Tiresia: A code for molecular electronic continuum states and photoionization | Computer Physics Communications | Daniele Toffoli Sonia Coriani Mauro Stener Piero Decleva | 2024/4/1 |
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes | arXiv preprint arXiv:2401.16946 | Sarai Dery Folkestad Alexander C Paul Regina Paul Peter Reinholdt Sonia Coriani | 2024/1/30 |
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework | The Journal of Chemical Physics | Erik Rosendahl Kjellgren Peter Reinholdt Aaron Fitzpatrick Walter N Talarico Phillip WK Jensen | 2024/3/28 |
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures | Journal of Chemical Theory and Computation | Xiang Yuan Loic Halbert Johann Valentin Pototschnig Anastasios Papadopoulos Sonia Coriani | 2024/1/9 |
Evaluating Ground State Energy with Low-Depth Quantum Circuit and High Accuracy | Bulletin of the American Physical Society | Shuo Sun Chandan Kumar Elvira Shishenina Edwin Knobbe Christian Mendl | 2024/3/5 |
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory | Nature Communications | Sarai Dery Folkestad Alexander C Paul Regina Paul Sonia Coriani Michael Odelius | 2024/4/26 |
Genome-Driven Discovery of Hygrocins in Streptomyces rapamycinicus | Journal of Natural Products | Manar Magdy Mahmoud Mohamed Zhijie Yang Kah Yean Lum Gundela Peschel Miriam A Rosenbaum | 2024 |
Eremane, viscidane and isozizaene diterpenoids from the leaves of Eremophila rigida and their absolute configurations | Phytochemistry | Chao Liang Chi Ndi Susan J Semple Bevan Buirchell Sonia Coriani | 2024/3/1 |
Reduced density matrix formulation of quantum linear response | arXiv preprint arXiv:2404.16586 | Theo Juncker von Buchwald Karl Michael Ziems Erik Rosendahl Kjellgren Stephan Sauer Jacob Kongsted | 2024/4/25 |
Orthogonal Reversed-Phase C18 and Pentafluorophenyl HPLC Separation for Phytochemical Profiling of Serrulatanes in Eremophila denticulata | Journal of Natural Products | Yong Zhao Tuo Li Louise Kjaerulff Henrietta Venter Sonia Coriani | 2023/11/28 |
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts | Analytical Chemistry | Yong Zhao Oliver Gericke Tuo Li Louise Kjaerulff Kenneth T Kongstad | 2023/2/20 |
Description of the KLL Auger–Meitner decay spectra of argon following primary and satellite core-ionized states | The Journal of Chemical Physics | Jacob Pedersen Piero Decleva Sonia Coriani Bruno Nunes Cabral Tenorio | 2023/7/14 |
Early-Career and Emerging Researchers in Physical Chemistry Volume 2 | Anastassia N Alexandrova Julie S Biteen Sonia Coriani Franz M Geiger Andrew A Gewirth | 2023/11/2 | |
Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics | The Journal of Physical Chemistry A | Bruno Nunes Cabral Tenorio Jacob Pedersen Mario Barbatti Piero Decleva Sonia Coriani | 2023/12/22 |
New implementation of an equation-of-motion coupled-cluster damped-response framework with illustrative applications to resonant inelastic X-ray scattering | Journal of Physical Chemistry A | Anna Kristina Schnack-Petersen Torsha Moitra Sarai Dery Folkestad Sonia Coriani | 2023/2 |
TURBOMOLE: Today and tomorrow | Yannick J Franzke Christof Holzer Josefine H Andersen Tomislav Begušić Florian Bruder | 2023/6/29 |
