Zsuzsanna Koczor-Benda

8PUBLICATIONS
45CO-AUTHORS
Mathematical aspects of classical mechanics, quantum mechanics and quantum information theoryBiomolecular modelling and designStructural properties of condensed matterElectronic and magnetic properties of condensed matter; superconductivityComputational chemistry
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Publications (8)

|Aug 10, 2026
First-principles Newns-Anderson Hamiltonian construction for chemisorbed hydrogen at metal surfaces.

|Jun 25, 2025
Structural Bias in Three-Dimensional Autoregressive Generative Machine Learning of Organic Molecules.

Zsuzsanna Koczor-Benda, Joe Gilkes, Francesco Bartucca

|Dec 13, 2024
Discovering structure-property correlations: general discussion.

Andy S Anker, Alán Aspuru-Guzik, Chiheb Ben Mahmoud

|Aug 30, 2023
Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster Method.

Koushik Chatterjee, Zsuzsanna Koczor-Benda, Xintian Feng

|Jul 06, 2022
Molecular Vibration Explorer: an Online Database and Toolbox for Surface-Enhanced Frequency Conversion and Infrared and Raman Spectroscopy.

Zsuzsanna Koczor-Benda, Philippe Roelli, Christophe Galland

|Dec 02, 2021
Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas.

Angelos Xomalis, Xuezhi Zheng, Rohit Chikkaraddy

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Frequent Collaborators

2 joint publications

Thomas-C Jagau

2 joint publications

Edina Rosta

2 joint publications

Reinhard J Maurer

1 joint publications

Aleksandr Y Pereverzev